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

Systemtic Name: 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[8-[(1-ethylsulfonyl-4-piperidyl)amino]-6-isoquinolyl]-2-fluoro-benzonitrile CAS Name: 5-[8-[(1-ethylsulfonyl-4-piperidinyl)amino]-6-isoquinolinyl]-2-fluorobenzonitrile IUPAC Name: 5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]-2-fluorobenzonitrile Traditional Name: 5-[8-[(1-esyl-4-piperidyl)amino]-6-isoquinolyl]-2-fluoro-benzonitrile Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)NC2=C3C=NC=CC3=CC(=C2)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)NC2=C3C=NC=CC3=CC(=C2)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C23H23FN4O2S/c1-2-31(29,30)28-9-6-20(7-10-28)27-23-13-18(12-17-5-8-26-15-21(17)23)16-3-4-22(24)19(11-16)14-25/h3-5,8,11-13,15,20,27H,2,6-7,9-10H2,1H3