4-[5-cyano-2-(4-fluorophenyl)-6-(quinolin-2-ylmethylsulfanyl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(quinolin-2-ylmethylsulfanyl)pyridin-3-yl]benzenesulfonamide Openeye Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(2-quinolylmethylsulfanyl)-3-pyridyl]benzenesulfonamide CAS Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(2-quinolinylmethylthio)-3-pyridinyl]benzenesulfonamide IUPAC Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(quinolin-2-ylmethylsulfanyl)pyridin-3-yl]benzenesulfonamide Traditional Name: 4-[5-cyano-2-(4-fluorophenyl)-6-(2-quinolylmethylthio)-3-pyridyl]benzenesulfonamide Formula: C28H19FN4O2S2 MolecularWeight: 526.604463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSC3=NC(=C(C=C3C#N)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC3=NC(=C(C=C3C#N)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H19FN4O2S2/c29-22-10-5-20(6-11-22)27-25(18-8-13-24(14-9-18)37(31,34)35)15-21(16-30)28(33-27)36-17-23-12-7-19-3-1-2-4-26(19)32-23/h1-15H,17H2,(H2,31,34,35)