1-methylsulfonyl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide Openeye Name: 1-methylsulfonyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide CAS Name: 1-methylsulfonyl-N-[3-[oxo-(2,2,2-trifluoroethylamino)methyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: 1-mesyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide Formula: C15H18F3N3O4S MolecularWeight: 393.38133

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)C(=O)NCC(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)C(=O)NCC(F)(F)F

InChI

InChI=1S/C15H18F3N3O4S/c1-26(24,25)21-7-3-6-12(21)14(23)20-11-5-2-4-10(8-11)13(22)19-9-15(16,17)18/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,22)(H,20,23)