(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H16F3NO7S MolecularWeight: 471.40375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C(F)(F)F

InChI

InChI=1S/C20H16F3NO7S/c21-20(22,23)13-2-1-3-15(9-13)32(28,29)24-7-6-18(26)30-11-12-8-19(27)31-17-10-14(25)4-5-16(12)17/h1-5,8-10,24-25H,6-7,11H2