[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H25NO7S/c1-4-27(22,23)19-9-7-13(8-10-19)18(21)26-12-15(20)14-5-6-16(24-2)17(11-14)25-3/h5-6,11,13H,4,7-10,12H2,1-3H3