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

Systemtic Name: 3-isoquinolin-5-yloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Openeye Name: 3-(5-isoquinolyloxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one CAS Name: 3-(5-isoquinolinyloxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-furanone IUPAC Name: 3-isoquinolin-5-yloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Traditional Name: 3-(5-isoquinolyloxy)-4-(4-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=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)OC2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

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