4-methoxy-N-[(4S)-5-oxidanylidene-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[(4S)-5-oxidanylidene-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]benzenesulfonamide Openeye Name: 4-methoxy-N-[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]benzenesulfonamide CAS Name: 4-methoxy-N-[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[(4S)-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-3-ium-4-yl]benzenesulfonamide Traditional Name: N-[(4S)-5-keto-2-phenyl-4-(trifluoromethyl)-2-imidazolin-3-ium-4-yl]-4-methoxy-benzenesulfonamide Formula: C17H15F3N3O4S+ MolecularWeight: 414.37891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2(C(=O)NC(=[NH+]2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@@]2(C(=O)NC(=[NH+]2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O4S/c1-27-12-7-9-13(10-8-12)28(25,26)23-16(17(18,19)20)15(24)21-14(22-16)11-5-3-2-4-6-11/h2-10,23H,1H3,(H,21,22,24)/p+1/t16-/m0/s1