2-fluoranyl-5-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 2-fluoro-5-[8-[(1-methylsulfonylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile CAS Name: 2-fluoro-5-[8-[(1-methylsulfonyl-3-azetidinyl)amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 2-fluoro-5-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 2-fluoro-5-[8-[(1-mesylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile Formula: C20H17FN4O2S MolecularWeight: 396.437983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C1)NC2=C3C=NC=CC3=CC(=C2)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

CS(=O)(=O)N1CC(C1)NC2=C3C=NC=CC3=CC(=C2)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C20H17FN4O2S/c1-28(26,27)25-11-17(12-25)24-20-8-15(7-14-4-5-23-10-18(14)20)13-2-3-19(21)16(6-13)9-22/h2-8,10,17,24H,11-12H2,1H3