2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methoxy]benzenecarbonitrile Openeye Name: 2-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methoxy]benzonitrile CAS Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methoxy]benzonitrile IUPAC Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methoxy]benzonitrile Traditional Name: 2-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]oxybenzonitrile Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COC4=CC=CC=C4C#N)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COC4=CC=CC=C4C#N)S(=O)(=O)C

InChI

InChI=1S/C27H24N2O3S/c1-27(2,33(3,30)31)23-15-21-11-7-13-29-26(21)24(16-23)20-10-6-8-19(14-20)18-32-25-12-5-4-9-22(25)17-28/h4-16H,18H2,1-3H3