[(3-cyano-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-6-yl)-methylsulfonyl-amino] methanesulfonate

Systemtic Name: [(3-cyano-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-6-yl)-methylsulfonyl-amino] methanesulfonate Openeye Name: [(3-cyano-2-methyl-1-oxo-4-phenyl-6-isoquinolyl)-methylsulfonyl-amino] methanesulfonate CAS Name: methanesulfonic acid [(3-cyano-2-methyl-1-oxo-4-phenyl-6-isoquinolinyl)-methylsulfonylamino] ester IUPAC Name: [(3-cyano-2-methyl-1-oxo-4-phenylisoquinolin-6-yl)-methylsulfonylamino] methanesulfonate Traditional Name: methanesulfonic acid [(3-cyano-1-keto-2-methyl-4-phenyl-6-isoquinolyl)-mesyl-amino] ester Formula: C19H17N3O6S2 MolecularWeight: 447.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)N(OS(=O)(=O)C)S(=O)(=O)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)N(OS(=O)(=O)C)S(=O)(=O)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H17N3O6S2/c1-21-17(12-20)18(13-7-5-4-6-8-13)16-11-14(9-10-15(16)19(21)23)22(29(2,24)25)28-30(3,26)27/h4-11H,1-3H3