3-[4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H21F3N2O4S/c21-20(22,23)15-6-9-18(25-11-1-2-12-25)17(13-15)24-30(28,29)16-7-3-14(4-8-16)5-10-19(26)27/h3-4,6-9,13,24H,1-2,5,10-12H2,(H,26,27)