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

Systemtic Name: 2-[4-[[2-butyl-4-methyl-6-(phenylsulfonylmethylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-butyl-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-butyl-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-butyl-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-(besylmethylamino)-2-butyl-4-methyl-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=C2C)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=C2C)NCS(=O)(=O)C5=CC=CC=C5

InChI

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