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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(dimethylamino)propyl]-3-nitro-4-(4-piperonylpiperazino)benzenesulfonamide Formula: C23H31N5O6S MolecularWeight: 505.58714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O6S/c1-25(2)9-3-8-24-35(31,32)19-5-6-20(21(15-19)28(29)30)27-12-10-26(11-13-27)16-18-4-7-22-23(14-18)34-17-33-22/h4-7,14-15,24H,3,8-13,16-17H2,1-2H3