4-bromanyl-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-bromo-N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-benzenesulfonamide Formula: C14H21BrN3O3S+ MolecularWeight: 391.30384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrN3O3S/c1-16-7-9-18(10-8-16)14(19)11-17(2)22(20,21)13-5-3-12(15)4-6-13/h3-6H,7-11H2,1-2H3/p+1