2-[4-(1,2-dimethylbenzimidazol-5-yl)piperidin-1-yl]sulfonyl-2-methyl-3-(3-methylphenyl)propanoic acid

Systemtic Name: 2-[4-(1,2-dimethylbenzimidazol-5-yl)piperidin-1-yl]sulfonyl-2-methyl-3-(3-methylphenyl)propanoic acid Openeye Name: 2-[[4-(1,2-dimethylbenzimidazol-5-yl)-1-piperidyl]sulfonyl]-2-methyl-3-(m-tolyl)propanoic acid CAS Name: 2-[[4-(1,2-dimethyl-5-benzimidazolyl)-1-piperidinyl]sulfonyl]-2-methyl-3-(3-methylphenyl)propanoic acid IUPAC Name: 2-[4-(1,2-dimethylbenzimidazol-5-yl)piperidin-1-yl]sulfonyl-2-methyl-3-(3-methylphenyl)propanoic acid Traditional Name: 2-[4-(1,2-dimethylbenzimidazol-5-yl)piperidino]sulfonyl-2-methyl-3-(m-tolyl)propionic acid Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C)(C(=O)O)S(=O)(=O)N2CCC(CC2)C3=CC4=C(C=C3)N(C(=N4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CC(C)(C(=O)O)S(=O)(=O)N2CCC(CC2)C3=CC4=C(C=C3)N(C(=N4)C)C

InChI

InChI=1S/C25H31N3O4S/c1-17-6-5-7-19(14-17)16-25(3,24(29)30)33(31,32)28-12-10-20(11-13-28)21-8-9-23-22(15-21)26-18(2)27(23)4/h5-9,14-15,20H,10-13,16H2,1-4H3,(H,29,30)