(2S)-N-(2,4-dimethylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,4-dimethylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C22H27F3N3O3S+ MolecularWeight: 470.52829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C22H26F3N3O3S/c1-15-4-9-20(16(2)14-15)26-21(29)17(3)27-10-12-28(13-11-27)32(30,31)19-7-5-18(6-8-19)22(23,24)25/h4-9,14,17H,10-13H2,1-3H3,(H,26,29)/p+1/t17-/m0/s1