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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-methyl-3-nitro-4-(4-piperonyloylpiperazino)benzenesulfonamide Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7S/c1-20-31(27,28)14-3-4-15(16(11-14)23(25)26)21-6-8-22(9-7-21)19(24)13-2-5-17-18(10-13)30-12-29-17/h2-5,10-11,20H,6-9,12H2,1H3