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

Systemtic Name: 2-[4-[[2-butyl-6-[(phenylmethyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(benzylsulfonylmethylamino)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-6-[(phenylmethyl)sulfonylmethylamino]-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(benzylsulfonylmethylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(benzylsulfonylmethylamino)-2-butyl-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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O4S/c1-2-3-13-32-35-30-19-18-27(34-23-41(39,40)22-25-9-5-4-6-10-25)20-31(30)36(32)21-24-14-16-26(17-15-24)28-11-7-8-12-29(28)33(37)38/h4-12,14-20,34H,2-3,13,21-23H2,1H3,(H,37,38)