3-phenyl-2-[[1-[4-(trifluoromethyloxy)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[1-[4-(trifluoromethyloxy)phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-[1-[4-(trifluoromethoxy)phenyl]sulfonyl-2-pyrrolidinyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylprolyl]amino]propionic acid Formula: C21H21F3N2O6S MolecularWeight: 486.46145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21F3N2O6S/c22-21(23,24)32-15-8-10-16(11-9-15)33(30,31)26-12-4-7-18(26)19(27)25-17(20(28)29)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18H,4,7,12-13H2,(H,25,27)(H,28,29)