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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-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-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-13-5-4-6-17(9-13)24-30(27,28)20-10-16(8-7-14(20)2)21(26)29-12-19(25)18(11-22)15(3)23/h4-10,24H,12,23H2,1-3H3/b18-15+