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

Systemtic Name: ethyl 6-(2-fluorophenyl)-4-[3-(methylsulfonylamino)phenyl]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(2-fluorophenyl)-4-[3-(methanesulfonamido)phenyl]-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(2-fluorophenyl)-4-[3-(methanesulfonamido)phenyl]-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-fluorophenyl)-4-[3-(methanesulfonamido)phenyl]-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(2-fluorophenyl)-2-keto-4-[3-(methanesulfonamido)phenyl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CC=C3F

InChI

InChI=1S/C22H22FNO5S/c1-3-29-22(26)21-18(17-9-4-5-10-19(17)23)12-15(13-20(21)25)14-7-6-8-16(11-14)24-30(2,27)28/h4-11,13,18,21,24H,3,12H2,1-2H3