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

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-12(20)14-5-3-4-6-15(14)18-16(21)11-25-17(22)13-7-9-19(10-8-13)26(2,23)24/h3-6,13H,7-11H2,1-2H3,(H,18,21)