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

Systemtic Name: 2-ethyl-5-methylsulfanyl-3-[[4-[2-[(phenylmethyl)carbamoylsulfamoyl]phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(benzylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-ethyl-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-ethyl-5-(methylthio)-3-[[4-[2-[[oxo-[(phenylmethyl)amino]methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-[2-(benzylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-ethyl-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(benzylcarbamoylsulfamoyl)phenyl]benzyl]-2-ethyl-5-(methylthio)imidazole-4-carboxylic acid Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C28H28N4O5S2/c1-3-24-30-26(38-2)25(27(33)34)32(24)18-20-13-15-21(16-14-20)22-11-7-8-12-23(22)39(36,37)31-28(35)29-17-19-9-5-4-6-10-19/h4-16H,3,17-18H2,1-2H3,(H,33,34)(H2,29,31,35)