4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-[2-(2-piperidyl)ethoxy]phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-[2-(2-piperidinyl)ethoxy]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[[4-(2-piperidin-2-ylethoxy)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-[2-(2-piperidyl)ethoxy]benzyl]isonipecotic acid Formula: C27H36N2O6S MolecularWeight: 516.64954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)OCCC4CCCCN4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)OCCC4CCCCN4)C(=O)O

InChI

InChI=1S/C27H36N2O6S/c1-34-23-9-11-25(12-10-23)36(32,33)27(26(30)31)14-17-29(18-15-27)20-21-5-7-24(8-6-21)35-19-13-22-4-2-3-16-28-22/h5-12,22,28H,2-4,13-20H2,1H3,(H,30,31)