[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[(5-chloranyl-2,4-dimethoxy-phenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[(5-chloranyl-2,4-dimethoxy-phenyl)-methyl-sulfamoyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-[(5-chloro-2,4-dimethoxy-phenyl)-methyl-sulfamoyl]benzoate CAS Name: 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)-methyl-sulfamoyl]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H22ClN3O7S MolecularWeight: 507.94398

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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(=C(C=C2OC)OC)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC(=C(C=C2OC)OC)Cl)/N

InChI

InChI=1S/C22H22ClN3O7S/c1-13(25)16(11-24)19(27)12-33-22(28)14-6-5-7-15(8-14)34(29,30)26(2)18-9-17(23)20(31-3)10-21(18)32-4/h5-10H,12,25H2,1-4H3/b16-13+