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

Systemtic Name: 2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzenecarbonitrile Openeye Name: 2-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]benzonitrile CAS Name: 2-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]benzonitrile IUPAC Name: 2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]benzonitrile Traditional Name: 2-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]benzonitrile Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC=CC=C4C#N)S(=O)(=O)C

InChI

InChI=1S/C26H22N2O2S/c1-26(2,31(3,29)30)22-15-20-11-7-13-28-25(20)24(16-22)19-10-6-9-18(14-19)23-12-5-4-8-21(23)17-27/h4-16H,1-3H3