3-[[4-[2-[(4-methylphenyl)carbamoylsulfamoyl]phenyl]phenyl]methyl]-5-methylsulfanyl-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[4-[2-[(4-methylphenyl)carbamoylsulfamoyl]phenyl]phenyl]methyl]-5-methylsulfanyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-2-propyl-3-[[4-[2-(p-tolylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 3-[[4-[2-[[(4-methylanilino)-oxomethyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-[2-[(4-methylphenyl)carbamoylsulfamoyl]phenyl]phenyl]methyl]-5-methylsulfanyl-2-propylimidazole-4-carboxylic acid Traditional Name: 5-(methylthio)-2-propyl-3-[4-[2-(p-tolylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C29H30N4O5S2 MolecularWeight: 578.7023

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NC4=CC=C(C=C4)C)C(=O)O)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NC4=CC=C(C=C4)C)C(=O)O)SC

InChI

InChI=1S/C29H30N4O5S2/c1-4-7-25-31-27(39-3)26(28(34)35)33(25)18-20-12-14-21(15-13-20)23-8-5-6-9-24(23)40(37,38)32-29(36)30-22-16-10-19(2)11-17-22/h5-6,8-17H,4,7,18H2,1-3H3,(H,34,35)(H2,30,32,36)