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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN2O5S/c1-12(2)20-17(22)13(3)26-18(23)14-8-10-21(11-9-14)27(24,25)16-6-4-15(19)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H,20,22)/t13-/m0/s1