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

Systemtic Name: 3-[8-[(1-methylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-methylsulfonyl-4-piperidyl)methylamino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-methylsulfonyl-4-piperidinyl)methylamino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-methylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-mesyl-4-piperidyl)methylamino]-6-isoquinolyl]benzonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)CNC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)CNC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N

InChI

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