3,4-dimethyl-5-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[2-morpholino-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[2-morpholino-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid Formula: C20H21F3N2O5S MolecularWeight: 458.45135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C

InChI

InChI=1S/C20H21F3N2O5S/c1-12-9-14(19(26)27)10-18(13(12)2)31(28,29)24-16-11-15(20(21,22)23)3-4-17(16)25-5-7-30-8-6-25/h3-4,9-11,24H,5-8H2,1-2H3,(H,26,27)