4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S/c1-18-27(23,24)13-4-5-14(15(10-13)20(21)22)19(2)11-12-3-6-16-17(9-12)26-8-7-25-16/h3-6,9-10,18H,7-8,11H2,1-2H3