2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-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=CC(=C(C=C2)F)C(=O)OCCSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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