(4-fluoranyl-2-propanoyl-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: (4-fluoranyl-2-propanoyl-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-fluoro-2-propanoyl-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid [4-fluoro-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-fluoro-2-propanoylphenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (4-fluoro-2-propionyl-phenyl) ester Formula: C22H24FNO6S MolecularWeight: 449.492463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(OC(C3)C)C

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C22H24FNO6S/c1-4-20(25)19-11-17(23)8-9-21(19)30-22(26)16-6-5-7-18(10-16)31(27,28)24-12-14(2)29-15(3)13-24/h5-11,14-15H,4,12-13H2,1-3H3/t14-,15-/m0/s1