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

Systemtic Name: 4-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C18H23BrN3O2S+ MolecularWeight: 425.36312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O2S/c1-2-21-11-13-22(14-12-21)18-6-4-3-5-17(18)20-25(23,24)16-9-7-15(19)8-10-16/h3-10,20H,2,11-14H2,1H3/p+1