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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6S/c1-14(23)17(12-22)19(25)13-30-21(26)15-8-10-16(11-9-15)31(27,28)24(2)18-6-4-5-7-20(18)29-3/h4-11H,13,23H2,1-3H3/b17-14+