2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(benzyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-2-sec-butyl-imidazole-4-carboxylic acid CAS Name: 2-butan-2-yl-5-(methylthio)-3-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(carbobenzoxysulfamoyl)phenyl]benzyl]-5-(methylthio)-2-sec-butyl-imidazole-4-carboxylic acid Formula: C30H31N3O6S2 MolecularWeight: 593.71364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC4=CC=CC=C4)C(=O)O)SC

Isomeric SMILES

CCC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC4=CC=CC=C4)C(=O)O)SC

InChI

InChI=1S/C30H31N3O6S2/c1-4-20(2)27-31-28(40-3)26(29(34)35)33(27)18-21-14-16-23(17-15-21)24-12-8-9-13-25(24)41(37,38)32-30(36)39-19-22-10-6-5-7-11-22/h5-17,20H,4,18-19H2,1-3H3,(H,32,36)(H,34,35)