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

Systemtic Name: 5-bromanyl-2-methoxy-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]benzenesulfonamide Formula: C19H16BrF3N2O3S2 MolecularWeight: 521.37115

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H16BrF3N2O3S2/c1-28-15-7-6-12(20)10-17(15)30(26,27)24-8-9-29-16-11-18(19(21,22)23)25-14-5-3-2-4-13(14)16/h2-7,10-11,24H,8-9H2,1H3