[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO6S/c1-27-20-13-6-5-11-17(20)19(23)15-28-21(24)18-12-7-8-14-22(18)29(25,26)16-9-3-2-4-10-16/h2-6,9-11,13,18H,7-8,12,14-15H2,1H3