N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-mesylpiperazin-1-ium-1-yl)acetamide Formula: C14H18ClF3N3O3S+ MolecularWeight: 400.82423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClF3N3O3S/c1-25(23,24)21-6-4-20(5-7-21)9-13(22)19-12-8-10(14(16,17)18)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,19,22)/p+1