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Benzene and substituted derivatives

Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Benzenesulfonamides (24)
Sulfanilides (12)
Diphenylmethanes (10)
N-phenylureas (10)
Styrenes (9)
Trifluoromethylbenzenes (8)
Hydroxybenzoic Acid Derivatives (8)
Diphenylethers (5)
Anilides (4)
Benzoyl derivatives (4)
Phthalic acid and derivatives (4)
Aniline and substituted anilines (3)
Phenylacetamides (3)
Acylaminobenzoic acid and derivatives (2)
Benzamides (2)
Phenylcarbamic acid esters (2)
Phenylmethylamines (2)
Phenylpropanes (2)
Benzenesulfonyl compounds (1)
Phenylhydrazines (1)
Benzyl Derivatives (1)

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1 – 15 of 60 results
1

Diflunisal, Thermo Scientific Chemicals

CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F

PubChem CID 3059
CAS 22494-42-4
Molecular Weight (g/mol) 250.20
ChEBI CHEBI:39669
MDL Number MFCD00057834
SMILES OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
Synonym diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum
IUPAC Name 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Molecular Formula C13H8F2O3
2

Gliclazide, Thermo Scientific Chemicals

CAS: 21187-98-4 Molecular Formula: C15H21N3O3S Molecular Weight (g/mol): 323.41 MDL Number: MFCD00409893 InChI Key: BOVGTQGAOIONJV-UHFFFAOYNA-N Synonym: gliclazide,glimicron,diamicron,nordialex,diaikron,gliclazida,gliklazid,glyclazide,gliclazidum inn-latin,gliclazida inn-spanish PubChem CID: 3475 ChEBI: CHEBI:31654 IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1

PubChem CID 3475
CAS 21187-98-4
Molecular Weight (g/mol) 323.41
ChEBI CHEBI:31654
MDL Number MFCD00409893
SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
Synonym gliclazide,glimicron,diamicron,nordialex,diaikron,gliclazida,gliklazid,glyclazide,gliclazidum inn-latin,gliclazida inn-spanish
IUPAC Name 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea
InChI Key BOVGTQGAOIONJV-UHFFFAOYNA-N
Molecular Formula C15H21N3O3S
3

(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol, 97%, Thermo Scientific Chemicals

CAS: 90365-74-5 MDL Number: MFCD01073893 InChI Key: QJRIUWQPJVPYSO-QWRGUYRKSA-N Synonym: 3s,4s-1-benzylpyrrolidine-3,4-diol,3s,4s-+-1-benzyl-3,4-pyrrolidindiol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol,3s,4s-1-benzyl-3,4-pyrrolidinediol,3s,4s---1-benzyl-3,4-pyrrolidindiol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3s,4s,pubchem18732,3s,4s-1-benzyl-3,4-dihydroxypyrrolidine,3s,4s-1-phenylmethyl-3,4-pyrrolidinediol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol sum of enantiomers, hplc PubChem CID: 2734057 IUPAC Name: (3S,4S)-1-benzylpyrrolidine-3,4-diol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)O

PubChem CID 2734057
CAS 90365-74-5
MDL Number MFCD01073893
SMILES C1C(C(CN1CC2=CC=CC=C2)O)O
Synonym 3s,4s-1-benzylpyrrolidine-3,4-diol,3s,4s-+-1-benzyl-3,4-pyrrolidindiol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol,3s,4s-1-benzyl-3,4-pyrrolidinediol,3s,4s---1-benzyl-3,4-pyrrolidindiol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3s,4s,pubchem18732,3s,4s-1-benzyl-3,4-dihydroxypyrrolidine,3s,4s-1-phenylmethyl-3,4-pyrrolidinediol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol sum of enantiomers, hplc
IUPAC Name (3S,4S)-1-benzylpyrrolidine-3,4-diol
InChI Key QJRIUWQPJVPYSO-QWRGUYRKSA-N
4

Thermo Scientific Chemicals 5(6)-Carboxyfluorescein

CAS: 72088-94-9 Molecular Formula: C42H24O14 Molecular Weight (g/mol): 752.64 MDL Number: MFCD00151081 InChI Key: BPVHBBXCESDRKW-UHFFFAOYSA-N Synonym: 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid PubChem CID: 44119975 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2

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PubChem CID 44119975
CAS 72088-94-9
Molecular Weight (g/mol) 752.64
MDL Number MFCD00151081
SMILES OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2
Synonym 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid
IUPAC Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
InChI Key BPVHBBXCESDRKW-UHFFFAOYSA-N
Molecular Formula C42H24O14
5

Thermo Scientific Chemicals 5(6)-Carboxyfluorescein, mixture of isomers, 97%

CAS: 72088-94-9 Molecular Formula: C42H24O14 Molecular Weight (g/mol): 752.64 MDL Number: MFCD00151081 InChI Key: BPVHBBXCESDRKW-UHFFFAOYSA-N Synonym: 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid PubChem CID: 44119975 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid SMILES: OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2

PubChem CID 44119975
CAS 72088-94-9
Molecular Weight (g/mol) 752.64
MDL Number MFCD00151081
SMILES OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2.OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2
Synonym 5 6-fam,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid 1:1,5-and-6-fam,5-and-6-carboxyfluorescein,5-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, dye content 90 %,5 6-carboxyfluorescein; carboxyfluorescein,5 6-carboxyfluorescein, bioreagent, suitable for fluorescence hplc,3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-5-carboxylic acid compound with 3,6-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9-xanthene-6-carboxylic acid 1:1,4 5-carboxyfluorescein; 3',6'-dihydroxy-3-oxospiro 2-benzofuran-1,9'-xanthene-5 6-carboxylic acid
IUPAC Name 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
InChI Key BPVHBBXCESDRKW-UHFFFAOYSA-N
Molecular Formula C42H24O14
6

JZL 195, Tocris Bioscience™

CAS: 1210004-12-8 Molecular Formula: C24H23N3O5 Molecular Weight (g/mol): 433.464 InChI Key: QNYRAEKLMNDRFY-UHFFFAOYSA-N Synonym: 4-nitrophenyl 4-3-phenoxyphenyl methyl piperazine-1-carboxylate,4-nitrophenyl 4-3-phenoxybenzyl piperazine-1-carboxylate,d06udn,jzl hplc,4-3-phenoxyphenyl methyl-1-piperazinecarboxylic acid 4-nitrophenyl ester PubChem CID: 46232606 IUPAC Name: (4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate SMILES: C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

PubChem CID 46232606
CAS 1210004-12-8
Molecular Weight (g/mol) 433.464
SMILES C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
Synonym 4-nitrophenyl 4-3-phenoxyphenyl methyl piperazine-1-carboxylate,4-nitrophenyl 4-3-phenoxybenzyl piperazine-1-carboxylate,d06udn,jzl hplc,4-3-phenoxyphenyl methyl-1-piperazinecarboxylic acid 4-nitrophenyl ester
IUPAC Name (4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate
InChI Key QNYRAEKLMNDRFY-UHFFFAOYSA-N
Molecular Formula C24H23N3O5
8

GW 542573X, Tocris Bioscience™

CAS: 660846-41-3 Molecular Formula: C19H28N2O5 Molecular Weight (g/mol): 364.442 InChI Key: SAXGSDIZIYFNKD-UHFFFAOYSA-N Synonym: tert-butyl 4-2-methoxyphenyl carbamoyl oxy methyl piperidine-1-carboxylate,gw542573x hplc,4-2-methoxyphenylcarbamoyloxymethyl-piperidine-1-carboxylic acid t-butyl ester,4-2-methoxyphenyl amino carbonyl oxy methyl-piperidinecarboxylic acid-1,1-dimethylethyl ester PubChem CID: 24885053 IUPAC Name: tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)NC2=CC=CC=C2OC

PubChem CID 24885053
CAS 660846-41-3
Molecular Weight (g/mol) 364.442
SMILES CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)NC2=CC=CC=C2OC
Synonym tert-butyl 4-2-methoxyphenyl carbamoyl oxy methyl piperidine-1-carboxylate,gw542573x hplc,4-2-methoxyphenylcarbamoyloxymethyl-piperidine-1-carboxylic acid t-butyl ester,4-2-methoxyphenyl amino carbonyl oxy methyl-piperidinecarboxylic acid-1,1-dimethylethyl ester
IUPAC Name tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
InChI Key SAXGSDIZIYFNKD-UHFFFAOYSA-N
Molecular Formula C19H28N2O5
9

CI 976, Tocris Bioscience™

CAS: 114289-47-3 Molecular Formula: C23H39NO4 Molecular Weight (g/mol): 393.568 InChI Key: WAFNZAURAWBNDZ-UHFFFAOYSA-N Synonym: 2,2-dimethyl-n-2,4,6-trimethoxyphenyl dodecanamide,chembl22373,unii-8653iq20ea,dodecanamide,2,2-dimethyl-n-2,4,6-trimethoxyphenyl,dodecanamide, 2,2-dimethyl-n-2,4,6-trimethoxyphenyl,2,2-dimethyl-dodecanoic acid 2,4,6-trimethoxy-phenyl-amide,acmc-1cuxf,d0d1xg,ci hplc , solid PubChem CID: 122327 IUPAC Name: 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide SMILES: CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC

PubChem CID 122327
CAS 114289-47-3
Molecular Weight (g/mol) 393.568
SMILES CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC
Synonym 2,2-dimethyl-n-2,4,6-trimethoxyphenyl dodecanamide,chembl22373,unii-8653iq20ea,dodecanamide,2,2-dimethyl-n-2,4,6-trimethoxyphenyl,dodecanamide, 2,2-dimethyl-n-2,4,6-trimethoxyphenyl,2,2-dimethyl-dodecanoic acid 2,4,6-trimethoxy-phenyl-amide,acmc-1cuxf,d0d1xg,ci hplc , solid
IUPAC Name 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
InChI Key WAFNZAURAWBNDZ-UHFFFAOYSA-N
Molecular Formula C23H39NO4
10

AMN 082 dihydrochloride, Tocris Bioscience™

CAS: 97075-46-2 Molecular Formula: C28H30Cl2N2 Molecular Weight (g/mol): 465.462 InChI Key: YRQCDCNQANSUPB-UHFFFAOYSA-N Synonym: amn082 dihydrochloride,amn 082 dihydrochloride,n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride,amn hplc , solid,n,n'-bis diphenylmethyl-1,2-ethanediamine dihydrochloride,diphenylmethyl 2-diphenylmethyl amino ethyl amine dihydrochloride,n,n inverted exclamation marka-dibenzhydrylethane-1,2-diamine dihydrochloride PubChem CID: 11698390 IUPAC Name: N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NCCNC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

PubChem CID 11698390
CAS 97075-46-2
Molecular Weight (g/mol) 465.462
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)NCCNC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
Synonym amn082 dihydrochloride,amn 082 dihydrochloride,n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride,amn hplc , solid,n,n'-bis diphenylmethyl-1,2-ethanediamine dihydrochloride,diphenylmethyl 2-diphenylmethyl amino ethyl amine dihydrochloride,n,n inverted exclamation marka-dibenzhydrylethane-1,2-diamine dihydrochloride
IUPAC Name N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride
InChI Key YRQCDCNQANSUPB-UHFFFAOYSA-N
Molecular Formula C28H30Cl2N2
11

BMS 753, Tocris Bioscience™

CAS: 215307-86-1 Molecular Formula: C21H21NO4 Molecular Weight (g/mol): 351.402 InChI Key: KFBPBWUZXBYJDG-UHFFFAOYSA-N Synonym: d07ytl,bms hplc,4-1,1,3,3-tetramethyl-2-oxoindene-5-amido benzoic acid,4-1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl amino benzoic acid,4-2,3-dihydro-1,1,3,3-tetramethyl-2-oxo-1h-inden-5-yl carbonyl amino benzoic acid PubChem CID: 9884820 IUPAC Name: 4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid SMILES: CC1(C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(C1=O)(C)C)C

PubChem CID 9884820
CAS 215307-86-1
Molecular Weight (g/mol) 351.402
SMILES CC1(C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(C1=O)(C)C)C
Synonym d07ytl,bms hplc,4-1,1,3,3-tetramethyl-2-oxoindene-5-amido benzoic acid,4-1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl amino benzoic acid,4-2,3-dihydro-1,1,3,3-tetramethyl-2-oxo-1h-inden-5-yl carbonyl amino benzoic acid
IUPAC Name 4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid
InChI Key KFBPBWUZXBYJDG-UHFFFAOYSA-N
Molecular Formula C21H21NO4
12

NS 1643, Tocris Bioscience™

CAS: 448895-37-2 Molecular Formula: C15H10F6N2O3 Molecular Weight (g/mol): 380.246 InChI Key: NJFVQMRYJZHGME-UHFFFAOYSA-N Synonym: 1,3-bis 2-hydroxy-5-trifluoromethyl phenyl urea,unii-0i579cng0i,n,n'-bis 2-hydroxy-5-trifluoromethyl phenyl urea,urea, n,n'-bis 2-hydroxy-5-trifluoromethyl phenyl,1,3-bis 2-hydroxy-5-trifluoromethylphenyl urea,ns hplc , solid PubChem CID: 10177784 IUPAC Name: 1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O

PubChem CID 10177784
CAS 448895-37-2
Molecular Weight (g/mol) 380.246
SMILES C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O
Synonym 1,3-bis 2-hydroxy-5-trifluoromethyl phenyl urea,unii-0i579cng0i,n,n'-bis 2-hydroxy-5-trifluoromethyl phenyl urea,urea, n,n'-bis 2-hydroxy-5-trifluoromethyl phenyl,1,3-bis 2-hydroxy-5-trifluoromethylphenyl urea,ns hplc , solid
IUPAC Name 1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea
InChI Key NJFVQMRYJZHGME-UHFFFAOYSA-N
Molecular Formula C15H10F6N2O3
13

H 89 dihydrochloride, Tocris Bioscience™

CAS: 130964-39-5 Molecular Formula: C20H24BrCl2N3O3S Molecular Weight (g/mol): 537.294 InChI Key: GKFFJFGBWAGAFD-HZBIHQSRSA-N Synonym: h-89 dihydrochloride hydrate,n-2-p-bromocinnamylamino ethyl-5-isoquinolinesulfonamide dihydrochloride,c20h20brn3o2s.2clh.h2o,h-89 dihydrochloride hydrate hplc , powder,n-2-2e-3-4-bromophenyl prop-2-en-1-yl amino ethyl isoquinoline-5-sulfonamide hydrate dihydrochloride PubChem CID: 16078954 IUPAC Name: N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide;hydrate;dihydrochloride SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Br.O.Cl.Cl

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PubChem CID 16078954
CAS 130964-39-5
Molecular Weight (g/mol) 537.294
SMILES C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC3=CC=C(C=C3)Br.O.Cl.Cl
Synonym h-89 dihydrochloride hydrate,n-2-p-bromocinnamylamino ethyl-5-isoquinolinesulfonamide dihydrochloride,c20h20brn3o2s.2clh.h2o,h-89 dihydrochloride hydrate hplc , powder,n-2-2e-3-4-bromophenyl prop-2-en-1-yl amino ethyl isoquinoline-5-sulfonamide hydrate dihydrochloride
IUPAC Name N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide;hydrate;dihydrochloride
InChI Key GKFFJFGBWAGAFD-HZBIHQSRSA-N
Molecular Formula C20H24BrCl2N3O3S
14

4-CMTB, Tocris Bioscience™

CAS: 300851-67-6 Molecular Formula: C14H15ClN2OS Molecular Weight (g/mol): 294.797 InChI Key: AZYDQCGCBQYFSE-UHFFFAOYSA-N Synonym: 4-cmtb,2-4-chlorophenyl-3-methyl-n-thiazol-2-yl butanamide,2-4-chlorophenyl-3-methyl-n-1,3-thiazol-2-yl butanamide,enamine_000061,d0i3eq,4-cmtb hplc,4-chloro-?-1-methylethyl-n-2-thiazolylbenzeneacetamide,4-chloro-alpha-1-methylethyl-n-2-thiazolylbenzeneacetamide PubChem CID: 4307629 IUPAC Name: 2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2

PubChem CID 4307629
CAS 300851-67-6
Molecular Weight (g/mol) 294.797
SMILES CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2
Synonym 4-cmtb,2-4-chlorophenyl-3-methyl-n-thiazol-2-yl butanamide,2-4-chlorophenyl-3-methyl-n-1,3-thiazol-2-yl butanamide,enamine_000061,d0i3eq,4-cmtb hplc,4-chloro-?-1-methylethyl-n-2-thiazolylbenzeneacetamide,4-chloro-alpha-1-methylethyl-n-2-thiazolylbenzeneacetamide
IUPAC Name 2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
InChI Key AZYDQCGCBQYFSE-UHFFFAOYSA-N
Molecular Formula C14H15ClN2OS