N-(4-bromanyl-3-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]methanesulfonamide Formula: C16H25BrN3O3S+ MolecularWeight: 419.357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3O3S/c1-4-18-7-9-19(10-8-18)16(21)12-20(24(3,22)23)14-5-6-15(17)13(2)11-14/h5-6,11H,4,7-10,12H2,1-3H3/p+1