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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(4-piperonylpiperazino)benzenesulfonamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c1-22(2,3)23-33(29,30)17-5-6-18(19(13-17)26(27)28)25-10-8-24(9-11-25)14-16-4-7-20-21(12-16)32-15-31-20/h4-7,12-13,23H,8-11,14-15H2,1-3H3