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

Systemtic Name: 4-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-benzenesulfonamide Formula: C19H25BrN3O2S+ MolecularWeight: 439.3897

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O2S/c1-3-22-10-12-23(13-11-22)19-7-5-4-6-18(19)21-26(24,25)16-8-9-17(20)15(2)14-16/h4-9,14,21H,3,10-13H2,1-2H3/p+1