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

Systemtic Name: 4-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-methyl-benzenesulfonamide Formula: C15H23BrN3O3S+ MolecularWeight: 405.33042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O3S/c1-3-18-8-10-19(11-9-18)15(20)12-17(2)23(21,22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3/p+1