2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one

Systemtic Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Openeye Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one CAS Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]-3-furanone IUPAC Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one Traditional Name: 2-ethyl-5-(4-mesylphenyl)-2-methyl-4-[3-(trifluoromethyl)phenyl]furan-3-one Formula: C21H19F3O4S MolecularWeight: 424.43337

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C21H19F3O4S/c1-4-20(2)19(25)17(14-6-5-7-15(12-14)21(22,23)24)18(28-20)13-8-10-16(11-9-13)29(3,26)27/h5-12H,4H2,1-3H3