4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-4-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide Formula: C22H30N3O6S2+ MolecularWeight: 496.6201

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H29N3O6S2/c1-3-24(4-2)32(26,27)19-6-8-20(9-7-19)33(28,29)25-13-11-23(12-14-25)16-18-5-10-21-22(15-18)31-17-30-21/h5-10,15H,3-4,11-14,16-17H2,1-2H3/p+1