1-(4-methylphenyl)sulfonyl-N-[(5S)-4-oxidanylidene-2-phenyl-3-propyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]methanamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(5S)-4-oxidanylidene-2-phenyl-3-propyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]methanamide Openeye Name: N-[(5S)-4-oxo-2-phenyl-3-propyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]-1-(p-tolylsulfonyl)formamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(5S)-4-oxo-2-phenyl-3-propyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]formamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(5S)-4-oxo-2-phenyl-3-propyl-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]formamide Traditional Name: N-[(4S)-5-keto-2-phenyl-1-propyl-4-(trifluoromethyl)-2-imidazolin-1-ium-4-yl]-1-tosyl-formamide Formula: C21H21F3N3O4S+ MolecularWeight: 468.46935

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC(C1=O)(C(F)(F)F)NC(=O)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(N[C@](C1=O)(C(F)(F)F)NC(=O)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20F3N3O4S/c1-3-13-27-17(15-7-5-4-6-8-15)25-20(18(27)28,21(22,23)24)26-19(29)32(30,31)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3,(H,26,29)/p+1/t20-/m0/s1