4-(3-methoxyphenyl)-1-methyl-2-(3-methylphenyl)-2-piperidin-1-ylsulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(3-methoxyphenyl)-1-methyl-2-(3-methylphenyl)-2-piperidin-1-ylsulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-(3-methoxyphenyl)-1-methyl-2-(m-tolyl)-2-(1-piperidylsulfonyl)piperidine-4-carboxylic acid CAS Name: 4-(3-methoxyphenyl)-1-methyl-2-(3-methylphenyl)-2-(1-piperidinylsulfonyl)-4-piperidinecarboxylic acid IUPAC Name: 4-(3-methoxyphenyl)-1-methyl-2-(3-methylphenyl)-2-piperidin-1-ylsulfonylpiperidine-4-carboxylic acid Traditional Name: 4-(3-methoxyphenyl)-1-methyl-2-(m-tolyl)-2-piperidinosulfonyl-isonipecotic acid Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CC(CCN2C)(C3=CC(=CC=C3)OC)C(=O)O)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2(CC(CCN2C)(C3=CC(=CC=C3)OC)C(=O)O)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H34N2O5S/c1-20-9-7-11-22(17-20)26(34(31,32)28-14-5-4-6-15-28)19-25(24(29)30,13-16-27(26)2)21-10-8-12-23(18-21)33-3/h7-12,17-18H,4-6,13-16,19H2,1-3H3,(H,29,30)