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

Systemtic Name: (2-ethanoyl-4-fluoranyl-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (2-acetyl-4-fluoro-phenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (2-acetyl-4-fluorophenyl) ester IUPAC Name: (2-acetyl-4-fluorophenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (2-acetyl-4-fluoro-phenyl) ester Formula: C21H22FNO6S MolecularWeight: 435.465883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)F)C(=O)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)F)C(=O)C

InChI

InChI=1S/C21H22FNO6S/c1-13-11-23(12-14(2)28-13)30(26,27)18-6-4-5-16(9-18)21(25)29-20-8-7-17(22)10-19(20)15(3)24/h4-10,13-14H,11-12H2,1-3H3/t13-,14-/m0/s1