N-[2-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-1-(4-nitrophenyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-1-(4-nitrophenyl)ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)-1-(4-nitrophenyl)ethyl]-4-methyl-benzenesulfonamide Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=O)OC(O2)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC(=O)OC(O2)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7S/c1-14-4-10-18(11-5-14)31(27,28)22-19(15-6-8-16(9-7-15)23(25)26)12-17-13-20(24)30-21(2,3)29-17/h4-11,13,19,22H,12H2,1-3H3