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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H23NO5S2 MolecularWeight: 385.49822

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H23NO5S2/c1-3-25(21,22)18-10-8-14(9-11-18)17(20)23-12-16(19)13-4-6-15(24-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3