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

Systemtic Name: 3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-ethylsulfonyl-4-piperidyl)methylamino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-ethylsulfonyl-4-piperidinyl)methylamino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-ethylsulfonylpiperidin-4-yl)methylamino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-esyl-4-piperidyl)methylamino]-6-isoquinolyl]benzonitrile Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S/c1-2-31(29,30)28-10-7-18(8-11-28)16-27-24-14-22(13-21-6-9-26-17-23(21)24)20-5-3-4-19(12-20)15-25/h3-6,9,12-14,17-18,27H,2,7-8,10-11,16H2,1H3