[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H22FNO6S MolecularWeight: 387.423083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FNO6S/c1-3-26(22,23)19-8-6-12(7-9-19)17(21)25-11-15(20)14-10-13(18)4-5-16(14)24-2/h4-5,10,12H,3,6-9,11H2,1-2H3