2-butyl-3-methylsulfanyl-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-methylsulfanyl-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid Openeye Name: 1-[[4-[2-(benzyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-3-methylsulfanyl-2H-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-(methylthio)-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid IUPAC Name: 2-butyl-3-methylsulfanyl-1-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid Traditional Name: 2-butyl-1-[4-[2-(carbobenzoxysulfamoyl)phenyl]benzyl]-3-(methylthio)-4-imidazoline-4-carboxylic acid Formula: C30H33N3O6S2 MolecularWeight: 595.72952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1SC)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1N(C=C(N1SC)C(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O6S2/c1-3-4-14-28-32(20-26(29(34)35)33(28)40-2)19-22-15-17-24(18-16-22)25-12-8-9-13-27(25)41(37,38)31-30(36)39-21-23-10-6-5-7-11-23/h5-13,15-18,20,28H,3-4,14,19,21H2,1-2H3,(H,31,36)(H,34,35)