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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate CAS Name: 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Traditional Name: 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]valeric acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H22F3NO7S MolecularWeight: 513.48349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3NO7S/c1-13(2)8-19(27-35(31,32)17-5-3-4-15(10-17)23(24,25)26)22(30)33-12-14-9-21(29)34-20-11-16(28)6-7-18(14)20/h3-7,9-11,13,19,27-28H,8,12H2,1-2H3