N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxy-5-nitro-benzenesulfonamide Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H18N2O7S/c1-24-15-5-3-13(19(20)21)11-17(15)27(22,23)18-7-6-12-2-4-14-16(10-12)26-9-8-25-14/h2-5,10-11,18H,6-9H2,1H3