4-[[2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[2-[2,2-dicyano-1-(p-tolyl)ethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl]amino]benzenesulfonamide CAS Name: 4-[[2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl]amino]benzenesulfonamide IUPAC Name: 4-[[2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-5,5-dimethyl-3-oxocyclohexen-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[2-[2,2-dicyano-1-(p-tolyl)ethyl]-3-keto-5,5-dimethyl-cyclohexen-1-yl]amino]benzenesulfonamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(CC(CC2=O)(C)C)NC3=CC=C(C=C3)S(=O)(=O)N)C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(CC(CC2=O)(C)C)NC3=CC=C(C=C3)S(=O)(=O)N)C(C#N)C#N

InChI

InChI=1S/C25H26N4O3S/c1-16-4-6-17(7-5-16)23(18(14-26)15-27)24-21(12-25(2,3)13-22(24)30)29-19-8-10-20(11-9-19)33(28,31)32/h4-11,18,23,29H,12-13H2,1-3H3,(H2,28,31,32)