3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-methylsulfonyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-methylsulfonyl-4-piperidinyl)amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-methylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-mesyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile Formula: C22H22N4O2S MolecularWeight: 406.50068

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-29(27,28)26-9-6-20(7-10-26)25-22-13-19(12-18-5-8-24-15-21(18)22)17-4-2-3-16(11-17)14-23/h2-5,8,11-13,15,20,25H,6-7,9-10H2,1H3