4-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2,5-dimethylphenyl)-2-oxo-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2,5-dimethylphenyl)-2-keto-ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C2=C(C=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)C2=C(C=CC(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-5-21(6-2)29(26,27)16-9-10-20(18(12-16)22(24)25)28-13-19(23)17-11-14(3)7-8-15(17)4/h7-12H,5-6,13H2,1-4H3