(5-ethanoyl-2-methoxy-phenyl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H22FNO7S MolecularWeight: 451.465283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C21H22FNO7S/c1-14(24)15-3-6-20(28-2)16(11-15)13-30-21(25)18-12-17(4-5-19(18)22)31(26,27)23-7-9-29-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3