ethyl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(2-chloro-6-fluoro-phenyl)-4-[4-(methanesulfonamido)phenyl]-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(2-chloro-6-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-chloro-6-fluorophenyl)-4-[4-(methanesulfonamido)phenyl]-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(2-chloro-6-fluoro-phenyl)-2-keto-4-[4-(methanesulfonamido)phenyl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21ClFNO5S MolecularWeight: 465.922243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H21ClFNO5S/c1-3-30-22(27)21-16(20-17(23)5-4-6-18(20)24)11-14(12-19(21)26)13-7-9-15(10-8-13)25-31(2,28)29/h4-10,12,16,21,25H,3,11H2,1-2H3