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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-methoxy-3-(p-tolylsulfamoyl)benzoate CAS Name: 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methoxy-3-(p-tolylsulfamoyl)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:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C(=C(C)N)C#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N)OC

InChI

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