[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl methanesulfonate

Systemtic Name: [3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl methanesulfonate Openeye Name: [3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[6-(2-cyanopropan-2-yl)-8-quinolinyl]phenyl]methyl ester IUPAC Name: [3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]benzyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COS(=O)(=O)C

Isomeric SMILES

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COS(=O)(=O)C

InChI

InChI=1S/C21H20N2O3S/c1-21(2,14-22)18-11-17-8-5-9-23-20(17)19(12-18)16-7-4-6-15(10-16)13-26-27(3,24)25/h4-12H,13H2,1-3H3