3-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-[4-(2-methylpropyl)phenyl]-2H-furan-5-one

Systemtic Name: 3-(2-fluoranyl-4-methylsulfonyl-phenyl)-4-[4-(2-methylpropyl)phenyl]-2H-furan-5-one Openeye Name: 3-(2-fluoro-4-methylsulfonyl-phenyl)-4-(4-isobutylphenyl)-2H-furan-5-one CAS Name: 3-(2-fluoro-4-methylsulfonylphenyl)-4-[4-(2-methylpropyl)phenyl]-2H-furan-5-one IUPAC Name: 3-(2-fluoro-4-methylsulfonylphenyl)-4-[4-(2-methylpropyl)phenyl]-2H-furan-5-one Traditional Name: 3-(2-fluoro-4-mesyl-phenyl)-4-(4-isobutylphenyl)-2H-furan-5-one Formula: C21H21FO4S MolecularWeight: 388.452443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=C(COC2=O)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=C(COC2=O)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H21FO4S/c1-13(2)10-14-4-6-15(7-5-14)20-18(12-26-21(20)23)17-9-8-16(11-19(17)22)27(3,24)25/h4-9,11,13H,10,12H2,1-3H3