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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H18F3NO7S MolecularWeight: 485.43033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3NO7S/c1-30-15-5-6-17-13(9-20(27)32-18(17)11-15)12-31-19(26)7-8-25-33(28,29)16-4-2-3-14(10-16)21(22,23)24/h2-6,9-11,25H,7-8,12H2,1H3