[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C20H20N4O5S/c1-24(2)17-7-3-14(4-8-17)11-15(12-21)20(26)29-13-19(25)23-16-5-9-18(10-6-16)30(22,27)28/h3-11H,13H2,1-2H3,(H,23,25)(H2,22,27,28)/b15-11+