(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H22FNO7S MolecularWeight: 475.486683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C23H22FNO7S/c1-14-9-18-17(12-22(26)32-20(18)10-15(14)2)13-31-23(27)16-3-4-19(24)21(11-16)33(28,29)25-5-7-30-8-6-25/h3-4,9-12H,5-8,13H2,1-2H3