4-bromanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C19H21BrN5O2S+ MolecularWeight: 463.37134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H20BrN5O2S/c1-24-10-12-25(13-11-24)19-18(21-16-4-2-3-5-17(16)22-19)23-28(26,27)15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,23)/p+1