N-(3-fluorophenyl)-2-[[6-oxidanylidene-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[[6-oxidanylidene-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[[5-(4-isopropylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(3-fluorophenyl)-2-[[6-oxo-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[[6-oxo-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[(6-keto-5-p-cumenylsulfonyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H20FN3O4S2 MolecularWeight: 461.529603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FN3O4S2/c1-13(2)14-6-8-17(9-7-14)31(28,29)18-11-23-21(25-20(18)27)30-12-19(26)24-16-5-3-4-15(22)10-16/h3-11,13H,12H2,1-2H3,(H,24,26)(H,23,25,27)