5-cyano-2-(4-fluorophenyl)-3-phenethylsulfanyl-6-pyridin-3-yl-benzenesulfonamide

Systemtic Name: 5-cyano-2-(4-fluorophenyl)-3-phenethylsulfanyl-6-pyridin-3-yl-benzenesulfonamide Openeye Name: 5-cyano-2-(4-fluorophenyl)-3-phenethylsulfanyl-6-(3-pyridyl)benzenesulfonamide CAS Name: 5-cyano-2-(4-fluorophenyl)-3-(phenethylthio)-6-(3-pyridinyl)benzenesulfonamide IUPAC Name: 5-cyano-2-(4-fluorophenyl)-3-phenethylsulfanyl-6-pyridin-3-ylbenzenesulfonamide Traditional Name: 5-cyano-2-(4-fluorophenyl)-3-(phenethylthio)-6-(3-pyridyl)benzenesulfonamide Formula: C26H20FN3O2S2 MolecularWeight: 489.584303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(C(=C(C(=C2)C#N)C3=CN=CC=C3)S(=O)(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(C(=C(C(=C2)C#N)C3=CN=CC=C3)S(=O)(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H20FN3O2S2/c27-22-10-8-19(9-11-22)25-23(33-14-12-18-5-2-1-3-6-18)15-21(16-28)24(26(25)34(29,31)32)20-7-4-13-30-17-20/h1-11,13,15,17H,12,14H2,(H2,29,31,32)