[1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H23FN2O5S MolecularWeight: 386.438323

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H23FN2O5S/c1-3-26(23,24)20-9-7-13(8-10-20)17(22)25-12(2)16(21)19-15-6-4-5-14(18)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,19,21)