[1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(2,5-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H22F2N2O5S MolecularWeight: 404.428786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F2N2O5S/c1-3-27(24,25)21-8-6-12(7-9-21)17(23)26-11(2)16(22)20-15-10-13(18)4-5-14(15)19/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,22)