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

Systemtic Name: 3-bromanyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 3-bromo-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 3-bromo-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 3-bromo-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C17H21BrN3O2S+ MolecularWeight: 411.33654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN3O2S/c1-20-9-11-21(12-10-20)17-8-3-2-7-16(17)19-24(22,23)15-6-4-5-14(18)13-15/h2-8,13,19H,9-12H2,1H3/p+1