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

Systemtic Name: [3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methyl methanesulfonate Openeye Name: [3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methyl ester IUPAC Name: [3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl] ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COS(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)COS(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C21H23NO5S2/c1-21(2,28(3,23)24)18-12-17-9-6-10-22-20(17)19(13-18)16-8-5-7-15(11-16)14-27-29(4,25)26/h5-13H,14H2,1-4H3