diethyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanedioate

Systemtic Name: diethyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanedioate Openeye Name: diethyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanedioate CAS Name: 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanedioate Traditional Name: 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]malonic acid diethyl ester Formula: C14H16F3NO6S MolecularWeight: 383.34015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C14H16F3NO6S/c1-3-23-12(19)11(13(20)24-4-2)18-25(21,22)10-7-5-6-9(8-10)14(15,16)17/h5-8,11,18H,3-4H2,1-2H3