N-[5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[5-bromanyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[5-bromo-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[5-bromo-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,5-dimethyl-benzenesulfonamide Formula: C19H25BrN3O2S+ MolecularWeight: 439.3897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)Br)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)Br)N3CC[NH+](CC3)C

InChI

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