2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C33H28N6O3S2 MolecularWeight: 620.74382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C)C#N

InChI

InChI=1S/C33H28N6O3S2/c1-3-30(31(40)37-25-14-16-26(17-15-25)44(41,42)39-33-35-18-7-19-36-33)43-32-28(21-34)27(23-12-10-22(2)11-13-23)20-29(38-32)24-8-5-4-6-9-24/h4-20,30H,3H2,1-2H3,(H,37,40)(H,35,36,39)