(2S)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: (2S)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide Openeye Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[4-(isopropylsulfamoyl)phenyl]propanamide CAS Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide IUPAC Name: (2S)-2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide Traditional Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-[4-(isopropylsulfamoyl)phenyl]propionamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C)C#N)C(=O)C

InChI

InChI=1S/C21H24N4O4S2/c1-12(2)25-31(28,29)18-8-6-17(7-9-18)24-20(27)15(5)30-21-16(11-22)10-19(14(4)26)13(3)23-21/h6-10,12,15,25H,1-5H3,(H,24,27)/t15-/m0/s1