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

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid Openeye Name: 3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid CAS Name: 3-(3-methyl-1-pyrrolidinyl)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid IUPAC Name: 3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid Traditional Name: 3-(3-methylpyrrolidino)-5-sulfamoyl-4-[3-(trifluoromethyl)phenoxy]benzoic acid Formula: C19H19F3N2O5S MolecularWeight: 444.42477

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O5S/c1-11-5-6-24(10-11)15-7-12(18(25)26)8-16(30(23,27)28)17(15)29-14-4-2-3-13(9-14)19(20,21)22/h2-4,7-9,11H,5-6,10H2,1H3,(H,25,26)(H2,23,27,28)