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

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C16H22N2O7S2 MolecularWeight: 418.48508

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O7S2/c1-26(21,22)14-6-4-3-5-13(14)17-15(19)11-25-16(20)12-7-9-18(10-8-12)27(2,23)24/h3-6,12H,7-11H2,1-2H3,(H,17,19)