4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[methyl(piperonyl)amino]-3-nitro-benzenesulfonamide Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6S/c1-21(2)9-8-20-30(26,27)15-5-6-16(17(11-15)23(24)25)22(3)12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11,20H,8-9,12-13H2,1-3H3