4-methoxy-2,3,6-trimethyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide

Systemtic Name: 4-methoxy-2,3,6-trimethyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Openeye Name: 4-methoxy-2,3,6-trimethyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzenesulfonamide CAS Name: 4-methoxy-2,3,6-trimethyl-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzenesulfonamide IUPAC Name: 4-methoxy-2,3,6-trimethyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Traditional Name: 4-methoxy-2,3,6-trimethyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]benzenesulfonamide Formula: C22H23F3N2O3S2 MolecularWeight: 484.55483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F)C)C)OC

InChI

InChI=1S/C22H23F3N2O3S2/c1-13-11-18(30-4)14(2)15(3)21(13)32(28,29)26-9-10-31-19-12-20(22(23,24)25)27-17-8-6-5-7-16(17)19/h5-8,11-12,26H,9-10H2,1-4H3