2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-6-(p-tolylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-6-(tosylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C33H33N3O4S MolecularWeight: 567.69782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NCS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NCS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H33N3O4S/c1-3-4-9-32-35-30-19-16-26(34-22-41(39,40)27-17-10-23(2)11-18-27)20-31(30)36(32)21-24-12-14-25(15-13-24)28-7-5-6-8-29(28)33(37)38/h5-8,10-20,34H,3-4,9,21-22H2,1-2H3,(H,37,38)