(4-propylsulfonylphenyl)methyl 4-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: (4-propylsulfonylphenyl)methyl 4-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: (4-propylsulfonylphenyl)methyl 4-oxo-4-[2-(trifluoromethyl)anilino]butanoate CAS Name: 4-oxo-4-[2-(trifluoromethyl)anilino]butanoic acid (4-propylsulfonylphenyl)methyl ester IUPAC Name: (4-propylsulfonylphenyl)methyl 4-oxo-4-[2-(trifluoromethyl)anilino]butanoate Traditional Name: 4-keto-4-[2-(trifluoromethyl)anilino]butyric acid (4-propylsulfonylbenzyl) ester Formula: C21H22F3NO5S MolecularWeight: 457.46329

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H22F3NO5S/c1-2-13-31(28,29)16-9-7-15(8-10-16)14-30-20(27)12-11-19(26)25-18-6-4-3-5-17(18)21(22,23)24/h3-10H,2,11-14H2,1H3,(H,25,26)