[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylisonipecotic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C17H18FN3O6S MolecularWeight: 411.404723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=NOC=C2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=NOC=C2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H18FN3O6S/c18-13-3-1-2-4-14(13)28(24,25)21-8-5-12(6-9-21)17(23)26-11-16(22)19-15-7-10-27-20-15/h1-4,7,10,12H,5-6,8-9,11H2,(H,19,20,22)