2-[[4-(2-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[4-(2-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[4-(2-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[4-(2-methylsulfonylphenyl)-2-(trifluoromethyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[4-(2-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[4-(2-mesylphenyl)-2-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C20H19F3N2O5S MolecularWeight: 456.43547

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O5S/c1-31(29,30)17-7-3-2-5-13(17)12-8-9-15(14(11-12)20(21,22)23)24-18(26)16-6-4-10-25(16)19(27)28/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,24,26)(H,27,28)