(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-3-[4-(propanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxidanyl-3-[4-(propanoylamino)phenyl]sulfanyl-propanamide Openeye Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(propanoylamino)phenyl]sulfanyl-propanamide CAS Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[[4-(1-oxopropylamino)phenyl]thio]propanamide IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[4-(propanoylamino)phenyl]sulfanylpropanamide Traditional Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-[(4-propionamidophenyl)thio]propionamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SCC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC[C@@](C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

InChI

InChI=1S/C21H20F3N3O3S/c1-3-18(28)26-14-6-8-16(9-7-14)31-12-20(2,30)19(29)27-15-5-4-13(11-25)17(10-15)21(22,23)24/h4-10,30H,3,12H2,1-2H3,(H,26,28)(H,27,29)/t20-/m0/s1