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

Systemtic Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-benzenesulfonamide Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

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