[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C23H27NO6S2 MolecularWeight: 477.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H27NO6S2/c1-3-29-19-6-10-21(11-7-19)32(27,28)24-14-12-18(13-15-24)23(26)30-16-22(25)17-4-8-20(31-2)9-5-17/h4-11,18H,3,12-16H2,1-2H3