5-bromanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide Formula: C17H19BrN5O2S2+ MolecularWeight: 469.39906

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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(S4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C17H18BrN5O2S2/c1-22-8-10-23(11-9-22)17-16(19-12-4-2-3-5-13(12)20-17)21-27(24,25)15-7-6-14(18)26-15/h2-7H,8-11H2,1H3,(H,19,21)/p+1