N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C19H21F3N3O3S+ MolecularWeight: 428.44855

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3S/c1-14(26)23-16-5-7-18(8-6-16)29(27,28)25-11-9-24(10-12-25)17-4-2-3-15(13-17)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)/p+1