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

Systemtic Name: 4-[[2-(2,2-dicyano-1-thiophen-3-yl-ethyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[2-[2,2-dicyano-1-(3-thienyl)ethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl]amino]benzenesulfonamide CAS Name: 4-[[2-[2,2-dicyano-1-(3-thiophenyl)ethyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl]amino]benzenesulfonamide IUPAC Name: 4-[[2-(2,2-dicyano-1-thiophen-3-ylethyl)-5,5-dimethyl-3-oxocyclohexen-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[2-[2,2-dicyano-1-(3-thienyl)ethyl]-3-keto-5,5-dimethyl-cyclohexen-1-yl]amino]benzenesulfonamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S2/c1-22(2)9-18(26-16-3-5-17(6-4-16)31(25,28)29)21(19(27)10-22)20(15(11-23)12-24)14-7-8-30-13-14/h3-8,13,15,20,26H,9-10H2,1-2H3,(H2,25,28,29)