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

Systemtic Name: N-[5-cyano-2-(4-fluorophenyl)-6-(quinolin-2-ylmethylsulfanyl)pyridin-3-yl]benzenesulfonamide Openeye Name: N-[5-cyano-2-(4-fluorophenyl)-6-(2-quinolylmethylsulfanyl)-3-pyridyl]benzenesulfonamide CAS Name: N-[5-cyano-2-(4-fluorophenyl)-6-(2-quinolinylmethylthio)-3-pyridinyl]benzenesulfonamide IUPAC Name: N-[5-cyano-2-(4-fluorophenyl)-6-(quinolin-2-ylmethylsulfanyl)pyridin-3-yl]benzenesulfonamide Traditional Name: N-[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=C(C=C1)S(=O)(=O)NC2=C(N=C(C(=C2)C#N)SCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C(C(=C2)C#N)SCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)F

InChI

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