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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C15H18F2N2O5S MolecularWeight: 376.375626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F2N2O5S/c1-9(14(18)20)24-15(21)10-4-6-19(7-5-10)25(22,23)11-2-3-12(16)13(17)8-11/h2-3,8-10H,4-7H2,1H3,(H2,18,20)