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

Systemtic Name: 3-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-methylsulfonylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-methylsulfonyl-3-azetidinyl)amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-methylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-mesylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-27(25,26)24-12-18(13-24)23-20-9-17(8-16-5-6-22-11-19(16)20)15-4-2-3-14(7-15)10-21/h2-9,11,18,23H,12-13H2,1H3