[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H26FNO6S MolecularWeight: 463.519043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FNO6S/c1-14-11-16(3)19(12-15(14)2)22(26)17(4)31-23(27)20-13-18(5-6-21(20)24)32(28,29)25-7-9-30-10-8-25/h5-6,11-13,17H,7-10H2,1-4H3