(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl methanesulfonate

Systemtic Name: (2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl methanesulfonate Openeye Name: (2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)methyl methanesulfonate CAS Name: methanesulfonic acid (2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl ester IUPAC Name: (2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid (1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-13-10-16-17(11-14(13)2)20(22)21(3)18(12-25-26(4,23)24)19(16)15-8-6-5-7-9-15/h5-11H,12H2,1-4H3