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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H20F2N2O5S MolecularWeight: 438.445006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H20F2N2O5S/c21-16-7-6-15(12-17(16)22)30(27,28)24-10-8-14(9-11-24)20(26)29-18(19(23)25)13-4-2-1-3-5-13/h1-7,12,14,18H,8-11H2,(H2,23,25)