[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H24N2O6S/c1-12(17(22)14-4-6-16(7-5-14)19-13(2)21)26-18(23)15-8-10-20(11-9-15)27(3,24)25/h4-7,12,15H,8-11H2,1-3H3,(H,19,21)