[3-(4-cyanophenoxy)-3-methyl-1-(6-methylpyridin-2-yl)butan-2-yl] methanesulfonate

Systemtic Name: [3-(4-cyanophenoxy)-3-methyl-1-(6-methylpyridin-2-yl)butan-2-yl] methanesulfonate Openeye Name: [2-(4-cyanophenoxy)-2-methyl-1-[(6-methyl-2-pyridyl)methyl]propyl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-cyanophenoxy)-3-methyl-1-(6-methyl-2-pyridinyl)butan-2-yl] ester IUPAC Name: [3-(4-cyanophenoxy)-3-methyl-1-(6-methylpyridin-2-yl)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-cyanophenoxy)-2-methyl-1-[(6-methyl-2-pyridyl)methyl]propyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CC(C(C)(C)OC2=CC=C(C=C2)C#N)OS(=O)(=O)C

Isomeric SMILES

CC1=NC(=CC=C1)CC(C(C)(C)OC2=CC=C(C=C2)C#N)OS(=O)(=O)C

InChI

InChI=1S/C19H22N2O4S/c1-14-6-5-7-16(21-14)12-18(25-26(4,22)23)19(2,3)24-17-10-8-15(13-20)9-11-17/h5-11,18H,12H2,1-4H3