[4-[4-(dimethylaminomethyl)phenyl]-1-oxidanylidene-2H-isoquinolin-5-yl] methanesulfonate

Systemtic Name: [4-[4-(dimethylaminomethyl)phenyl]-1-oxidanylidene-2H-isoquinolin-5-yl] methanesulfonate Openeye Name: [4-[4-(dimethylaminomethyl)phenyl]-1-oxo-2H-isoquinolin-5-yl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(dimethylaminomethyl)phenyl]-1-oxo-2H-isoquinolin-5-yl] ester IUPAC Name: [4-[4-(dimethylaminomethyl)phenyl]-1-oxo-2H-isoquinolin-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(dimethylaminomethyl)phenyl]-1-keto-2H-isoquinolin-5-yl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-21(2)12-13-7-9-14(10-8-13)16-11-20-19(22)15-5-4-6-17(18(15)16)25-26(3,23)24/h4-11H,12H2,1-3H3,(H,20,22)