[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H20BrFN2O5S MolecularWeight: 451.307803

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H20BrFN2O5S/c1-2-26(23,24)20-7-5-11(6-8-20)16(22)25-10-15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,21)