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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18F3NO6S MolecularWeight: 469.43093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3NO6S/c1-13-5-6-17-14(10-20(27)31-18(17)9-13)12-30-19(26)7-8-25-32(28,29)16-4-2-3-15(11-16)21(22,23)24/h2-6,9-11,25H,7-8,12H2,1H3