6-[4-[[2-butyl-5-(cyclohexylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[4-[[2-butyl-5-(cyclohexylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-[4-[[2-butyl-5-(cyclohexylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[4-[[2-butyl-5-(cyclohexylsulfamoyl)-1-benzimidazolyl]methyl]phenyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-[4-[[2-butyl-5-(cyclohexylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[4-[[2-butyl-5-(cyclohexylsulfamoyl)benzimidazol-1-yl]methyl]phenyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4C=CC=CC4C(=O)O)C=CC(=C2)S(=O)(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4C=CC=CC4C(=O)O)C=CC(=C2)S(=O)(=O)NC5CCCCC5

InChI

InChI=1S/C31H37N3O4S/c1-2-3-13-30-32-28-20-25(39(37,38)33-24-9-5-4-6-10-24)18-19-29(28)34(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(35)36/h7-8,11-12,14-20,24,26-27,33H,2-6,9-10,13,21H2,1H3,(H,35,36)