3-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanoyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanoyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetyl]amino]propane-1-sulfonic acid CAS Name: 3-[[2-(4-chlorophenyl)-1-oxo-2-[3-(trifluoromethyl)phenoxy]ethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetyl]amino]propane-1-sulfonic acid Formula: C18H17ClF3NO5S MolecularWeight: 451.84449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClF3NO5S/c19-14-7-5-12(6-8-14)16(17(24)23-9-2-10-29(25,26)27)28-15-4-1-3-13(11-15)18(20,21)22/h1,3-8,11,16H,2,9-10H2,(H,23,24)(H,25,26,27)