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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]acetamide Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C22H22N6O3S2/c1-2-3-5-17-7-6-16(14-23)21(27-17)32-15-20(29)26-18-8-10-19(11-9-18)33(30,31)28-22-24-12-4-13-25-22/h4,6-13H,2-3,5,15H2,1H3,(H,26,29)(H,24,25,28)