3-[8-[1-(1-methylsulfonylpiperidin-4-yl)carbonylpiperidin-4-yl]oxyisoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[1-(1-methylsulfonylpiperidin-4-yl)carbonylpiperidin-4-yl]oxyisoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(1-methylsulfonylpiperidine-4-carbonyl)-4-piperidyl]oxy]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]-4-piperidinyl]oxy]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-4-yl]oxyisoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(1-mesylisonipecotoyl)-4-piperidyl]oxy]-6-isoquinolyl]benzonitrile Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)N2CCC(CC2)OC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)N2CCC(CC2)OC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H30N4O4S/c1-37(34,35)32-13-6-21(7-14-32)28(33)31-11-8-25(9-12-31)36-27-17-24(16-23-5-10-30-19-26(23)27)22-4-2-3-20(15-22)18-29/h2-5,10,15-17,19,21,25H,6-9,11-14H2,1H3