N-(cyanomethyl)-4-morpholin-4-yl-4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]butanamide

Systemtic Name: N-(cyanomethyl)-4-morpholin-4-yl-4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]butanamide Openeye Name: N-(cyanomethyl)-4-morpholino-4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]butanamide CAS Name: N-(cyanomethyl)-4-(4-morpholinyl)-4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]butanamide IUPAC Name: N-(cyanomethyl)-4-morpholin-4-yl-4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]butanamide Traditional Name: N-(cyanomethyl)-4-keto-4-morpholino-2-[[2-(trifluoromethyl)benzyl]sulfonylmethyl]butyramide Formula: C19H22F3N3O5S MolecularWeight: 461.45529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)NCC#N

Isomeric SMILES

C1COCCN1C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)NCC#N

InChI

InChI=1S/C19H22F3N3O5S/c20-19(21,22)16-4-2-1-3-14(16)12-31(28,29)13-15(18(27)24-6-5-23)11-17(26)25-7-9-30-10-8-25/h1-4,15H,6-13H2,(H,24,27)