4-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylic acid Openeye Name: 4-[[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-1-methyl-piperidine-4-carboxylic acid CAS Name: 4-[[4-[4-(3-methoxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 4-[4-[4-(3-methoxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-1-methylpiperidine-4-carboxylic acid Traditional Name: 4-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidino]sulfonyl-1-methyl-isonipecotic acid Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H34N2O5S/c1-19-17-21(7-8-24(19)22-5-4-6-23(18-22)33-3)20-9-13-28(14-10-20)34(31,32)26(25(29)30)11-15-27(2)16-12-26/h4-8,17-18,20H,9-16H2,1-3H3,(H,29,30)