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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=CC4=C(C=C3)N(C(=N4)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)O)C3=CC4=C(C=C3)N(C(=N4)C)C

InChI

InChI=1S/C25H31N3O4S/c1-16-14-19(18-10-12-28(13-11-18)33(31,32)25(3,4)24(29)30)6-8-21(16)20-7-9-23-22(15-20)26-17(2)27(23)5/h6-9,14-15,18H,10-13H2,1-5H3,(H,29,30)