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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(4-piperonyloylpiperazino)benzenesulfonamide Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O7S/c1-22(2,3)23-34(30,31)16-5-6-17(18(13-16)26(28)29)24-8-10-25(11-9-24)21(27)15-4-7-19-20(12-15)33-14-32-19/h4-7,12-13,23H,8-11,14H2,1-3H3