3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-4-[4-(trifluoromethyl)phenoxy]benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-4-[4-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-4-[4-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-5-sulfamoyl-4-[4-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-5-sulfamoyl-4-[4-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-5-sulfamoyl-4-[4-(trifluoromethyl)phenoxy]benzoic acid Formula: C20H21F3N2O5S MolecularWeight: 458.45135

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C20H21F3N2O5S/c1-11-3-4-12(2)25(11)16-9-13(19(26)27)10-17(31(24,28)29)18(16)30-15-7-5-14(6-8-15)20(21,22)23/h5-12H,3-4H2,1-2H3,(H,26,27)(H2,24,28,29)