4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(homopiperonylamino)-N-methyl-3-nitro-benzenesulfonamide Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-17-26(22,23)12-3-4-13(14(9-12)19(20)21)18-7-6-11-2-5-15-16(8-11)25-10-24-15/h2-5,8-9,17-18H,6-7,10H2,1H3