2-[[2-(2-methylphenyl)-4-[(phenylmethyl)-pyridin-3-yl-sulfamoyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(phenylmethyl)-pyridin-3-yl-sulfamoyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[benzyl(3-pyridyl)sulfamoyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(phenylmethyl)-(3-pyridinyl)sulfamoyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[benzyl(pyridin-3-yl)sulfamoyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[benzyl(3-pyridyl)sulfamoyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H31N3O5S2 MolecularWeight: 589.72494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C31H31N3O5S2/c1-22-9-6-7-13-26(22)28-19-25(14-15-27(28)30(35)33-29(31(36)37)16-18-40-2)41(38,39)34(24-12-8-17-32-20-24)21-23-10-4-3-5-11-23/h3-15,17,19-20,29H,16,18,21H2,1-2H3,(H,33,35)(H,36,37)