1-(5,6-dimethyl-3-oxidanylidene-2-pyridin-3-yl-1H-isoindol-1-yl)ethyl methanesulfonate

Systemtic Name: 1-(5,6-dimethyl-3-oxidanylidene-2-pyridin-3-yl-1H-isoindol-1-yl)ethyl methanesulfonate Openeye Name: 1-[5,6-dimethyl-3-oxo-2-(3-pyridyl)isoindolin-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 1-[5,6-dimethyl-3-oxo-2-(3-pyridinyl)-1H-isoindol-1-yl]ethyl ester IUPAC Name: 1-(5,6-dimethyl-3-oxo-2-pyridin-3-yl-1H-isoindol-1-yl)ethyl methanesulfonate Traditional Name: methanesulfonic acid 1-[3-keto-5,6-dimethyl-2-(3-pyridyl)isoindolin-1-yl]ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CN=CC=C3)C(C)OS(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(N(C2=O)C3=CN=CC=C3)C(C)OS(=O)(=O)C)C

InChI

InChI=1S/C18H20N2O4S/c1-11-8-15-16(9-12(11)2)18(21)20(14-6-5-7-19-10-14)17(15)13(3)24-25(4,22)23/h5-10,13,17H,1-4H3