4-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-phenyl-benzenesulfonamide Openeye Name: 4-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-phenyl-benzenesulfonamide CAS Name: 4-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-phenylbenzenesulfonamide Traditional Name: 4-methyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-phenyl-benzenesulfonamide Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O6S/c1-16-7-9-21(10-8-16)31(27,28)23(19-5-3-2-4-6-19)13-17-11-20(24(25)26)12-18-14-29-15-30-22(17)18/h2-12H,13-15H2,1H3