[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C21H22FNO7S MolecularWeight: 451.465283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

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