4-bromanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Formula: C18H21BrN3O3S+ MolecularWeight: 439.34664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3S/c1-21-9-11-22(12-10-21)18(23)14-3-2-4-16(13-14)20-26(24,25)17-7-5-15(19)6-8-17/h2-8,13,20H,9-12H2,1H3/p+1