2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-(4-methylsulfonyl-1-piperazin-1-iumyl)-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-(4-mesylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Formula: C13H17F3N3O3S+ MolecularWeight: 352.35259

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(C=C2)F)F)F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(C=C2)F)F)F

InChI

InChI=1S/C13H16F3N3O3S/c1-23(21,22)19-6-4-18(5-7-19)8-11(20)17-10-3-2-9(14)12(15)13(10)16/h2-3H,4-8H2,1H3,(H,17,20)/p+1