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

Systemtic Name: 5-methylsulfanyl-3-[[4-[2-[(phenylmethyl)carbamoylsulfamoyl]phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(benzylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-(methylthio)-3-[[4-[2-[[oxo-[(phenylmethyl)amino]methyl]sulfamoyl]phenyl]phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-[2-(benzylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(benzylcarbamoylsulfamoyl)phenyl]benzyl]-5-(methylthio)-2-propyl-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)NCC4=CC=CC=C4)C(=O)O)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CC=CC=C4)C(=O)O)SC

InChI

InChI=1S/C29H30N4O5S2/c1-3-9-25-31-27(39-2)26(28(34)35)33(25)19-21-14-16-22(17-15-21)23-12-7-8-13-24(23)40(37,38)32-29(36)30-18-20-10-5-4-6-11-20/h4-8,10-17H,3,9,18-19H2,1-2H3,(H,34,35)(H2,30,32,36)