[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H12ClN3O5S MolecularWeight: 357.76948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O5S/c1-7(16)9(5-15)11(18)6-22-13(19)8-2-3-10(14)12(4-8)23(17,20)21/h2-4H,6,16H2,1H3,(H2,17,20,21)/b9-7+