N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-homopiperonyl-2-methoxy-5-nitro-benzenesulfonamide Formula: C16H16N2O7S MolecularWeight: 380.37244

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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)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N2O7S/c1-23-14-5-3-12(18(19)20)9-16(14)26(21,22)17-7-6-11-2-4-13-15(8-11)25-10-24-13/h2-5,8-9,17H,6-7,10H2,1H3