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

Systemtic Name: 4-propyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Openeye Name: 4-propyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzenesulfonamide CAS Name: 4-propyl-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzenesulfonamide IUPAC Name: 4-propyl-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Traditional Name: 4-propyl-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]benzenesulfonamide Formula: C21H21F3N2O2S2 MolecularWeight: 454.52885

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O2S2/c1-2-5-15-8-10-16(11-9-15)30(27,28)25-12-13-29-19-14-20(21(22,23)24)26-18-7-4-3-6-17(18)19/h3-4,6-11,14,25H,2,5,12-13H2,1H3