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

Systemtic Name: 5-methylsulfanyl-3-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(benzyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-(methylthio)-3-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-methylsulfanyl-3-[[4-[2-(phenylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(carbobenzoxysulfamoyl)phenyl]benzyl]-5-(methylthio)-2-propyl-imidazole-4-carboxylic acid Formula: C29H29N3O6S2 MolecularWeight: 579.68706

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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)OCC4=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)OCC4=CC=CC=C4)C(=O)O)SC

InChI

InChI=1S/C29H29N3O6S2/c1-3-9-25-30-27(39-2)26(28(33)34)32(25)18-20-14-16-22(17-15-20)23-12-7-8-13-24(23)40(36,37)31-29(35)38-19-21-10-5-4-6-11-21/h4-8,10-17H,3,9,18-19H2,1-2H3,(H,31,35)(H,33,34)