bis(prop-2-enyl) 2-[1-(4-cyanophenyl)-3-oxidanylidene-3-(4-sulfamoylphenyl)propyl]propanedioate

Systemtic Name: bis(prop-2-enyl) 2-[1-(4-cyanophenyl)-3-oxidanylidene-3-(4-sulfamoylphenyl)propyl]propanedioate Openeye Name: diallyl 2-[1-(4-cyanophenyl)-3-oxo-3-(4-sulfamoylphenyl)propyl]propanedioate CAS Name: 2-[1-(4-cyanophenyl)-3-oxo-3-(4-sulfamoylphenyl)propyl]propanedioic acid bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) 2-[1-(4-cyanophenyl)-3-oxo-3-(4-sulfamoylphenyl)propyl]propanedioate Traditional Name: 2-[1-(4-cyanophenyl)-3-keto-3-(4-sulfamoylphenyl)propyl]malonic acid diallyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O7S/c1-3-13-33-24(29)23(25(30)34-14-4-2)21(18-7-5-17(16-26)6-8-18)15-22(28)19-9-11-20(12-10-19)35(27,31)32/h3-12,21,23H,1-2,13-15H2,(H2,27,31,32)