4-[5-cyano-2-(4-fluorophenyl)-6-(1-phenylethylsulfanyl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(1-phenylethylsulfanyl)pyridin-3-yl]benzenesulfonamide Openeye Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(1-phenylethylsulfanyl)-3-pyridyl]benzenesulfonamide CAS Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(1-phenylethylthio)-3-pyridinyl]benzenesulfonamide IUPAC Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(1-phenylethylsulfanyl)pyridin-3-yl]benzenesulfonamide Traditional Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(1-phenylethylthio)-3-pyridyl]benzenesulfonamide Formula: C26H20FN3O2S2 MolecularWeight: 489.584303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=C(C=C2C#N)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC(=C(C=C2C#N)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H20FN3O2S2/c1-17(18-5-3-2-4-6-18)33-26-21(16-28)15-24(19-9-13-23(14-10-19)34(29,31)32)25(30-26)20-7-11-22(27)12-8-20/h2-15,17H,1H3,(H2,29,31,32)