[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C19H18F2N2O5S MolecularWeight: 424.418426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H18F2N2O5S/c20-16-4-3-14(10-17(16)21)18(24)12-28-19(25)13-5-8-23(9-6-13)29(26,27)15-2-1-7-22-11-15/h1-4,7,10-11,13H,5-6,8-9,12H2