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

Systemtic Name: N-(4-methoxyphenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Openeye Name: N-(4-methoxyphenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O7S/c1-29-20-9-7-18(8-10-20)23(32(27,28)21-5-3-2-4-6-21)13-16-11-19(24(25)26)12-17-14-30-15-31-22(16)17/h2-12H,13-15H2,1H3