3-(3-cyclopropylpyridin-2-yl)oxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

Systemtic Name: 3-(3-cyclopropylpyridin-2-yl)oxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Openeye Name: 3-[(3-cyclopropyl-2-pyridyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one CAS Name: 3-[(3-cyclopropyl-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-furanone IUPAC Name: 3-(3-cyclopropylpyridin-2-yl)oxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one Traditional Name: 3-[(3-cyclopropyl-2-pyridyl)oxy]-4-(4-mesylphenyl)-5,5-dimethyl-furan-2-one Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)OC2=C(C=CC=N2)C3CC3)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)OC2=C(C=CC=N2)C3CC3)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C21H21NO5S/c1-21(2)17(14-8-10-15(11-9-14)28(3,24)25)18(20(23)27-21)26-19-16(13-6-7-13)5-4-12-22-19/h4-5,8-13H,6-7H2,1-3H3