3-oxidanylidenebutan-2-yl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (2-keto-1-methyl-propyl) ester Formula: C16H19F2NO5S MolecularWeight: 375.387566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F2NO5S/c1-10(20)11(2)24-16(21)12-5-7-19(8-6-12)25(22,23)13-3-4-14(17)15(18)9-13/h3-4,9,11-12H,5-8H2,1-2H3