[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)C

InChI

InChI=1S/C21H24N4O5S/c1-4-8-25-14(2)9-16(15(25)3)10-17(12-22)21(27)30-13-20(26)24-18-6-5-7-19(11-18)31(23,28)29/h5-7,9-11H,4,8,13H2,1-3H3,(H,24,26)(H2,23,28,29)/b17-10+