5-chloranyl-N-[2-[[3-(cyanomethyl)cyclohexyl]methyl]-1-oxidanyl-3-oxidanylidene-1H-isoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[[3-(cyanomethyl)cyclohexyl]methyl]-1-oxidanyl-3-oxidanylidene-1H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-[[3-(cyanomethyl)cyclohexyl]methyl]-1-hydroxy-3-oxo-isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-[[3-(cyanomethyl)cyclohexyl]methyl]-1-hydroxy-3-oxo-1H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-[[3-(cyanomethyl)cyclohexyl]methyl]-1-hydroxy-3-oxo-1H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[2-[[3-(cyanomethyl)cyclohexyl]methyl]-1-hydroxy-3-keto-isoindolin-4-yl]thiophene-2-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CN2C(C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl)O)CC#N

Isomeric SMILES

C1CC(CC(C1)CN2C(C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(S4)Cl)O)CC#N

InChI

InChI=1S/C22H22ClN3O3S/c23-18-8-7-17(30-18)20(27)25-16-6-2-5-15-19(16)22(29)26(21(15)28)12-14-4-1-3-13(11-14)9-10-24/h2,5-8,13-14,21,28H,1,3-4,9,11-12H2,(H,25,27)