(2R)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: (2R)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: (2R)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C21H20N6O3S2/c1-13-11-14(2)25-20(18(13)12-22)31-15(3)19(28)26-16-5-7-17(8-6-16)32(29,30)27-21-23-9-4-10-24-21/h4-11,15H,1-3H3,(H,26,28)(H,23,24,27)/t15-/m1/s1