2-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]ethanenitrile Openeye Name: 2-[3-[8-[(1-methylsulfonyl-4-piperidyl)amino]-6-isoquinolyl]phenyl]acetonitrile CAS Name: 2-[3-[8-[(1-methylsulfonyl-4-piperidinyl)amino]-6-isoquinolinyl]phenyl]acetonitrile IUPAC Name: 2-[3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]phenyl]acetonitrile Traditional Name: 2-[3-[8-[(1-mesyl-4-piperidyl)amino]-6-isoquinolyl]phenyl]acetonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC2=C3C=NC=CC3=CC(=C2)C4=CC(=CC=C4)CC#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC2=C3C=NC=CC3=CC(=C2)C4=CC(=CC=C4)CC#N

InChI

InChI=1S/C23H24N4O2S/c1-30(28,29)27-11-7-21(8-12-27)26-23-15-20(14-19-6-10-25-16-22(19)23)18-4-2-3-17(13-18)5-9-24/h2-4,6,10,13-16,21,26H,5,7-8,11-12H2,1H3