N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-3-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-3-(trifluoromethoxy)benzenesulfonamide Formula: C19H15F3N2O3S2 MolecularWeight: 440.45921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC(F)(F)F

InChI

InChI=1S/C19H15F3N2O3S2/c20-19(21,22)27-16-4-1-5-18(11-16)29(25,26)24-15-6-8-17(9-7-15)28-13-14-3-2-10-23-12-14/h1-12,24H,13H2