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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-14(22)18(12-21)19(24)13-28-20(25)15-7-6-10-17(11-15)29(26,27)23(2)16-8-4-3-5-9-16/h3-11H,13,22H2,1-2H3/b18-14+