methyl (2S)-4-oxidanylidene-1-(phenylsulfonyl)-2-(trifluoromethyl)piperidine-2-carboxylate

Systemtic Name: methyl (2S)-4-oxidanylidene-1-(phenylsulfonyl)-2-(trifluoromethyl)piperidine-2-carboxylate Openeye Name: methyl (2S)-1-(benzenesulfonyl)-4-oxo-2-(trifluoromethyl)piperidine-2-carboxylate CAS Name: (2S)-1-(benzenesulfonyl)-4-oxo-2-(trifluoromethyl)-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(benzenesulfonyl)-4-oxo-2-(trifluoromethyl)piperidine-2-carboxylate Traditional Name: (2S)-1-besyl-4-keto-2-(trifluoromethyl)pipecolinic acid methyl ester Formula: C14H14F3NO5S MolecularWeight: 365.32487

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=O)CCN1S(=O)(=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@]1(CC(=O)CCN1S(=O)(=O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H14F3NO5S/c1-23-12(20)13(14(15,16)17)9-10(19)7-8-18(13)24(21,22)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/t13-/m0/s1