3-isoquinolin-1-yloxy-5,5-dimethyl-4-(2-methylsulfonylphenyl)furan-2-one

Systemtic Name: 3-isoquinolin-1-yloxy-5,5-dimethyl-4-(2-methylsulfonylphenyl)furan-2-one Openeye Name: 3-(1-isoquinolyloxy)-5,5-dimethyl-4-(2-methylsulfonylphenyl)furan-2-one CAS Name: 3-(1-isoquinolinyloxy)-5,5-dimethyl-4-(2-methylsulfonylphenyl)-2-furanone IUPAC Name: 3-isoquinolin-1-yloxy-5,5-dimethyl-4-(2-methylsulfonylphenyl)furan-2-one Traditional Name: 3-(1-isoquinolyloxy)-4-(2-mesylphenyl)-5,5-dimethyl-furan-2-one Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)OC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)OC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4S(=O)(=O)C)C

InChI

InChI=1S/C22H19NO5S/c1-22(2)18(16-10-6-7-11-17(16)29(3,25)26)19(21(24)28-22)27-20-15-9-5-4-8-14(15)12-13-23-20/h4-13H,1-3H3