[4-(8,8-dimethyl-5-oxidanylidene-6,7-dihydro-1H-imidazo[4,5-g]isoquinolin-2-yl)-3-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-(8,8-dimethyl-5-oxidanylidene-6,7-dihydro-1H-imidazo[4,5-g]isoquinolin-2-yl)-3-methoxy-phenyl] methanesulfonate Openeye Name: [4-(8,8-dimethyl-5-oxo-6,7-dihydro-1H-imidazo[4,5-g]isoquinolin-2-yl)-3-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(8,8-dimethyl-5-oxo-6,7-dihydro-1H-imidazo[4,5-g]isoquinolin-2-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(8,8-dimethyl-5-oxo-6,7-dihydro-1H-imidazo[4,5-g]isoquinolin-2-yl)-3-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-keto-8,8-dimethyl-6,7-dihydro-1H-imidaz[4,5-g]isoquinolin-2-yl)-3-methoxy-phenyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=O)C2=CC3=C(C=C21)NC(=N3)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)C

Isomeric SMILES

CC1(CNC(=O)C2=CC3=C(C=C21)NC(=N3)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)C

InChI

InChI=1S/C20H21N3O5S/c1-20(2)10-21-19(24)13-8-15-16(9-14(13)20)23-18(22-15)12-6-5-11(7-17(12)27-3)28-29(4,25)26/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23)