4-bromanyl-2-ethyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-2-ethyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Openeye Name: 4-bromo-2-ethyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzenesulfonamide CAS Name: 4-bromo-2-ethyl-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzenesulfonamide IUPAC Name: 4-bromo-2-ethyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Traditional Name: 4-bromo-2-ethyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]benzenesulfonamide Formula: C20H18BrF3N2O2S2 MolecularWeight: 519.39833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H18BrF3N2O2S2/c1-2-13-11-14(21)7-8-18(13)30(27,28)25-9-10-29-17-12-19(20(22,23)24)26-16-6-4-3-5-15(16)17/h3-8,11-12,25H,2,9-10H2,1H3