1-(2-nitrophenyl)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]methanesulfonamide

Systemtic Name: 1-(2-nitrophenyl)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]methanesulfonamide Openeye Name: 1-(2-nitrophenyl)-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]methanesulfonamide CAS Name: 1-(2-nitrophenyl)-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]methanesulfonamide IUPAC Name: 1-(2-nitrophenyl)-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]methanesulfonamide Traditional Name: 1-(2-nitrophenyl)-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]methanesulfonamide Formula: C19H16F3N3O4S2 MolecularWeight: 471.47325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N3O4S2/c20-19(21,22)18-11-17(14-6-2-3-7-15(14)24-18)30-10-9-23-31(28,29)12-13-5-1-4-8-16(13)25(26)27/h1-8,11,23H,9-10,12H2