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

Systemtic Name: 5-methylsulfanyl-3-[[4-[2-(phenylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-3-[[4-[2-(phenylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-[2-[[anilino(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-methylsulfanyl-3-[[4-[2-(phenylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 5-(methylthio)-3-[4-[2-(phenylcarbamoylsulfamoyl)phenyl]benzyl]-2-propyl-imidazole-4-carboxylic acid Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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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=CC=C4)C(=O)O)SC

Isomeric SMILES

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

InChI

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