3-[[(2-cyano-3-phenyl-prop-2-enoyl)amino]carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide

Systemtic Name: 3-[[(2-cyano-3-phenyl-prop-2-enoyl)amino]carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide Openeye Name: 3-[[(2-cyano-3-phenyl-prop-2-enoyl)amino]carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide CAS Name: 3-[[(2-cyano-1-oxo-3-phenylprop-2-enyl)hydrazo]-oxomethyl]-N-(2,4-dimethylphenyl)benzenesulfonamide IUPAC Name: 3-[[(2-cyano-3-phenylprop-2-enoyl)amino]carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide Traditional Name: 3-[[(2-cyano-3-phenyl-acryloyl)amino]carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C(=CC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C(=CC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C25H22N4O4S/c1-17-11-12-23(18(2)13-17)29-34(32,33)22-10-6-9-20(15-22)24(30)27-28-25(31)21(16-26)14-19-7-4-3-5-8-19/h3-15,29H,1-2H3,(H,27,30)(H,28,31)