2-butyl-5-methylsulfanyl-3-[[4-[2-(phenylcarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(phenylcarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 3-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 3-[[4-[2-(benzoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 3-[4-[2-(benzoylsulfamoyl)phenyl]benzyl]-2-butyl-5-(methylthio)imidazole-4-carboxylic acid Formula: C29H29N3O5S2 MolecularWeight: 563.68766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4)C(=O)O)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4)C(=O)O)SC

InChI

InChI=1S/C29H29N3O5S2/c1-3-4-14-25-30-28(38-2)26(29(34)35)32(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)39(36,37)31-27(33)22-10-6-5-7-11-22/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,31,33)(H,34,35)