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

Systemtic Name: 2-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methyl-benzenesulfonamide Openeye Name: 2-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methyl-benzenesulfonamide CAS Name: 2-bromo-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: 2-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methylbenzenesulfonamide Traditional Name: 2-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-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=C(C=C(C=C3)C)Br

Isomeric SMILES

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

InChI

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