[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(4-methylphenyl)sulfonyl-azanide

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(4-methylphenyl)sulfonyl-azanide Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]-(4-methylphenyl)sulfonylazanide IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-(4-methylphenyl)sulfonylazanide Traditional Name: [3-(4-piperonylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-tosyl-azanide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H26N5O4S/c1-19-6-9-21(10-7-19)37(33,34)30-26-27(29-23-5-3-2-4-22(23)28-26)32-14-12-31(13-15-32)17-20-8-11-24-25(16-20)36-18-35-24/h2-11,16H,12-15,17-18H2,1H3/q-1/p+1