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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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