4-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzodioxole-5-carbonyl)hydrazino]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-3-nitro-4-(N'-piperonyloylhydrazino)benzenesulfonamide Formula: C21H18N4O8S MolecularWeight: 486.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NNC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NNC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O8S/c1-31-15-5-3-14(4-6-15)24-34(29,30)16-7-8-17(18(11-16)25(27)28)22-23-21(26)13-2-9-19-20(10-13)33-12-32-19/h2-11,22,24H,12H2,1H3,(H,23,26)