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

Systemtic Name: 2-bromanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 2-bromo-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 2-bromo-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 2-bromo-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 2-bromo-N-[4-(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=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3Br

InChI

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