2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H23F3N3O3S+ MolecularWeight: 442.47513

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3O3S/c21-20(22,23)17-7-4-8-18(13-17)24-19(27)14-25-9-11-26(12-10-25)30(28,29)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,24,27)/p+1