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

Systemtic Name: 3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-ethylsulfonyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[(1-ethylsulfonyl-4-piperidinyl)amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-esyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2S/c1-2-30(28,29)27-10-7-21(8-11-27)26-23-14-20(13-19-6-9-25-16-22(19)23)18-5-3-4-17(12-18)15-24/h3-6,9,12-14,16,21,26H,2,7-8,10-11H2,1H3