N-(2,4-dimethylphenyl)-4-(4-ethanoylphenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(4-ethanoylphenoxy)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O6S/c1-14-4-10-20(15(2)12-14)23-31(28,29)19-9-11-22(21(13-19)24(26)27)30-18-7-5-17(6-8-18)16(3)25/h4-13,23H,1-3H3