N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H20N2O8S MolecularWeight: 424.425

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O8S/c1-25-16-9-12(14(20(21)22)11-17(16)26-2)5-6-19-29(23,24)13-3-4-15-18(10-13)28-8-7-27-15/h3-4,9-11,19H,5-8H2,1-2H3