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

Systemtic Name: 3-[8-[(1-ethylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-ethylsulfonylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-ethylsulfonyl-3-azetidinyl)amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-ethylsulfonylazetidin-3-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-esylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-2-28(26,27)25-13-19(14-25)24-21-10-18(9-17-6-7-23-12-20(17)21)16-5-3-4-15(8-16)11-22/h3-10,12,19,24H,2,13-14H2,1H3