[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H24FNO6S MolecularWeight: 449.492463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C)C

InChI

InChI=1S/C22H24FNO6S/c1-14-10-16(3)18(11-15(14)2)20(25)13-30-22(26)17-4-5-19(23)21(12-17)31(27,28)24-6-8-29-9-7-24/h4-5,10-12H,6-9,13H2,1-3H3