N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-4-chloro-benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-4-chlorobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(4-piperonylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C26H25ClN5O4S+ MolecularWeight: 539.0258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4NS(=O)(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4NS(=O)(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C26H24ClN5O4S/c27-19-6-8-20(9-7-19)37(33,34)30-25-26(29-22-4-2-1-3-21(22)28-25)32-13-11-31(12-14-32)16-18-5-10-23-24(15-18)36-17-35-23/h1-10,15H,11-14,16-17H2,(H,28,30)/p+1