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

Systemtic Name: [4-(7,8-dimethyl-5-oxidanylidene-3,6-dihydroimidazo[4,5-g]isoquinolin-2-yl)-3-methoxy-phenyl] methanesulfonate Openeye Name: [4-(7,8-dimethyl-5-oxo-3,6-dihydroimidazo[4,5-g]isoquinolin-2-yl)-3-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(7,8-dimethyl-5-oxo-3,6-dihydroimidazo[4,5-g]isoquinolin-2-yl)-3-methoxyphenyl] ester IUPAC Name: [4-(7,8-dimethyl-5-oxo-3,6-dihydroimidazo[4,5-g]isoquinolin-2-yl)-3-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-keto-7,8-dimethyl-3,6-dihydroimidaz[4,5-g]isoquinolin-2-yl)-3-methoxy-phenyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C2=CC3=C(C=C12)N=C(N3)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)C

Isomeric SMILES

CC1=C(NC(=O)C2=CC3=C(C=C12)N=C(N3)C4=C(C=C(C=C4)OS(=O)(=O)C)OC)C

InChI

InChI=1S/C20H19N3O5S/c1-10-11(2)21-20(24)15-9-17-16(8-14(10)15)22-19(23-17)13-6-5-12(7-18(13)27-3)28-29(4,25)26/h5-9H,1-4H3,(H,21,24)(H,22,23)