[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate CAS Name: 4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate Traditional Name: 4-keto-4-[3-(trifluoromethyl)anilino]butyric acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C26H22F3NO7S MolecularWeight: 549.51559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C26H22F3NO7S/c1-17-5-11-22(12-6-17)38(34,35)37-21-9-7-18(8-10-21)23(31)16-36-25(33)14-13-24(32)30-20-4-2-3-19(15-20)26(27,28)29/h2-12,15H,13-14,16H2,1H3,(H,30,32)