[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H19ClF3N3O5S MolecularWeight: 493.88447

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)/N

InChI

InChI=1S/C19H19ClF3N3O5S/c1-11(25)14(9-24)17(27)10-31-18(28)12-4-6-26(7-5-12)32(29,30)13-2-3-16(20)15(8-13)19(21,22)23/h2-3,8,12H,4-7,10,25H2,1H3/b14-11+