3-pyrrolidin-1-yl-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid

Systemtic Name: 3-pyrrolidin-1-yl-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 3-pyrrolidin-1-yl-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 3-(1-pyrrolidinyl)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 3-pyrrolidin-1-yl-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 3-pyrrolidino-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid Formula: C18H17F3N2O5S MolecularWeight: 430.39819

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O5S/c19-18(20,21)12-4-3-5-13(10-12)28-16-14(23-6-1-2-7-23)8-11(17(24)25)9-15(16)29(22,26)27/h3-5,8-10H,1-2,6-7H2,(H,24,25)(H2,22,26,27)