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

Systemtic Name: 2-[4-[[2-butyl-6-(phenylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(besylmethylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H31N3O4S MolecularWeight: 553.67124

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C32H31N3O4S/c1-2-3-13-31-34-29-19-18-25(33-22-40(38,39)26-9-5-4-6-10-26)20-30(29)35(31)21-23-14-16-24(17-15-23)27-11-7-8-12-28(27)32(36)37/h4-12,14-20,33H,2-3,13,21-22H2,1H3,(H,36,37)