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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H23NO6S/c1-3-23-15-6-4-13(5-7-15)16(19)12-24-17(20)14-8-10-18(11-9-14)25(2,21)22/h4-7,14H,3,8-12H2,1-2H3