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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-[2,3-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dichlorophenyl)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-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3-dichlorophenyl)sulfonylisonipecotic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H19Cl2N3O5S MolecularWeight: 460.33156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3O5S/c1-11(22)13(9-21)15(24)10-28-18(25)12-5-7-23(8-6-12)29(26,27)16-4-2-3-14(19)17(16)20/h2-4,12H,5-8,10,22H2,1H3/b13-11+