3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(2-pyridylsulfonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-(2-pyridinylsulfonyl)-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-pyridin-2-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(2-pyridylsulfonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)S(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)S(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C26H23N5O2S/c27-17-19-4-3-5-20(14-19)22-15-21-7-11-28-18-24(21)25(16-22)30-23-8-12-31(13-9-23)34(32,33)26-6-1-2-10-29-26/h1-7,10-11,14-16,18,23,30H,8-9,12-13H2