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

Systemtic Name: 3-[8-[[1-(phenylsulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(benzenesulfonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-(benzenesulfonyl)-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(benzenesulfonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-besyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2S/c28-18-20-5-4-6-21(15-20)23-16-22-9-12-29-19-26(22)27(17-23)30-24-10-13-31(14-11-24)34(32,33)25-7-2-1-3-8-25/h1-9,12,15-17,19,24,30H,10-11,13-14H2