[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(3,4-dichlorophenyl)sulfonylamino]methyl]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H17Cl2N3O5S MolecularWeight: 482.33708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)/N

InChI

InChI=1S/C20H17Cl2N3O5S/c1-12(24)16(9-23)19(26)11-30-20(27)14-4-2-13(3-5-14)10-25-31(28,29)15-6-7-17(21)18(22)8-15/h2-8,25H,10-11,24H2,1H3/b16-12+