N-(3-bromophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(3-bromophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(3-bromophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(3-bromophenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(3-bromophenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(3-bromophenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C19H23BrN3O3S+ MolecularWeight: 453.37322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3S/c1-21-10-12-22(13-11-21)19(24)15-23(17-7-5-6-16(20)14-17)27(25,26)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3/p+1