[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylisonipecotic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24FN3O6S MolecularWeight: 429.463063

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C18H24FN3O6S/c1-3-20-18(25)21-16(23)12(2)28-17(24)13-8-10-22(11-9-13)29(26,27)15-7-5-4-6-14(15)19/h4-7,12-13H,3,8-11H2,1-2H3,(H2,20,21,23,25)/t12-/m0/s1