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

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O5S2/c1-24-14-5-3-13(4-6-14)17-15(19)11-23-16(20)12-7-9-18(10-8-12)25(2,21)22/h3-6,12H,7-11H2,1-2H3,(H,17,19)