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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H21NO6S/c1-22-14-5-3-12(4-6-14)15(18)11-23-16(19)13-7-9-17(10-8-13)24(2,20)21/h3-6,13H,7-11H2,1-2H3