2-(1-methylsulfonylazetidin-3-yl)-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide

Systemtic Name: 2-(1-methylsulfonylazetidin-3-yl)-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide Openeye Name: 2-(1-methylsulfonylazetidin-3-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]isoindoline-1-carboxamide CAS Name: 2-(1-methylsulfonyl-3-azetidinyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide IUPAC Name: 2-(1-methylsulfonylazetidin-3-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide Traditional Name: 3-keto-2-(1-mesylazetidin-3-yl)-N-[4-(trifluoromethoxy)benzyl]isoindoline-1-carboxamide Formula: C21H20F3N3O5S MolecularWeight: 483.46081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CC(C1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C21H20F3N3O5S/c1-33(30,31)26-11-14(12-26)27-18(16-4-2-3-5-17(16)20(27)29)19(28)25-10-13-6-8-15(9-7-13)32-21(22,23)24/h2-9,14,18H,10-12H2,1H3,(H,25,28)