[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H23FN2O5S MolecularWeight: 386.438323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H23FN2O5S/c1-12(2)19-16(21)11-25-17(22)13-7-9-20(10-8-13)26(23,24)15-5-3-14(18)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,19,21)