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

Systemtic Name: 3-bromanyl-N-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Openeye Name: 3-bromo-N-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide CAS Name: 3-bromo-N-[[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Traditional Name: 3-bromo-N-[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]benzenesulfonamide Formula: C20H27BrN3O2S+ MolecularWeight: 453.41628

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H26BrN3O2S/c1-2-23-10-12-24(13-11-23)16-18-8-6-17(7-9-18)15-22-27(25,26)20-5-3-4-19(21)14-20/h3-9,14,22H,2,10-13,15-16H2,1H3/p+1