(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H20F3NO6S MolecularWeight: 483.45751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3NO6S/c1-13-8-18-15(10-21(28)32-19(18)9-14(13)2)12-31-20(27)6-7-26-33(29,30)17-5-3-4-16(11-17)22(23,24)25/h3-5,8-11,26H,6-7,12H2,1-2H3