2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester Formula: C20H19F4NO5S2 MolecularWeight: 493.492173

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCSC3=CC=CC(=C3)C(F)(F)F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCSC3=CC=CC(=C3)C(F)(F)F)F

InChI

InChI=1S/C20H19F4NO5S2/c21-17-5-4-14(12-18(17)32(27,28)25-6-8-29-9-7-25)19(26)30-10-11-31-16-3-1-2-15(13-16)20(22,23)24/h1-5,12-13H,6-11H2