2-fluoranyl-5-[8-[[1-(1-methylsulfonylazetidin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-5-[8-[[1-(1-methylsulfonylazetidin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 2-fluoro-5-[8-[[1-(1-methylsulfonylazetidine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 2-fluoro-5-[8-[[1-[(1-methylsulfonyl-3-azetidinyl)-oxomethyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 2-fluoro-5-[8-[[1-(1-methylsulfonylazetidine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 2-fluoro-5-[8-[[1-(1-mesylazetidine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C26H26FN5O3S MolecularWeight: 507.579743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C1)C(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC(=C(C=C5)F)C#N

Isomeric SMILES

CS(=O)(=O)N1CC(C1)C(=O)N2CCC(CC2)NC3=C4C=NC=CC4=CC(=C3)C5=CC(=C(C=C5)F)C#N

InChI

InChI=1S/C26H26FN5O3S/c1-36(34,35)32-15-21(16-32)26(33)31-8-5-22(6-9-31)30-25-12-19(11-18-4-7-29-14-23(18)25)17-2-3-24(27)20(10-17)13-28/h2-4,7,10-12,14,21-22,30H,5-6,8-9,15-16H2,1H3