(4-methylphenyl)sulfonyl-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: [3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-tosyl-azanide Formula: C20H23N5O2S MolecularWeight: 397.49392

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N5O2S/c1-15-7-9-16(10-8-15)28(26,27)23-19-20(25-13-11-24(2)12-14-25)22-18-6-4-3-5-17(18)21-19/h3-10H,11-14H2,1-2H3/q-1/p+1