2-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetyl]amino]ethanesulfonic acid CAS Name: 2-[[2-(4-chlorophenyl)-1-oxo-2-[3-(trifluoromethyl)phenoxy]ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetyl]amino]ethanesulfonic acid Formula: C17H15ClF3NO5S MolecularWeight: 437.81791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(C2=CC=C(C=C2)Cl)C(=O)NCCS(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OC(C2=CC=C(C=C2)Cl)C(=O)NCCS(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C17H15ClF3NO5S/c18-13-6-4-11(5-7-13)15(16(23)22-8-9-28(24,25)26)27-14-3-1-2-12(10-14)17(19,20)21/h1-7,10,15H,8-9H2,(H,22,23)(H,24,25,26)