1-methylsulfonyl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[3-[oxo-(2,2,2-trifluoroethylamino)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]isonipecotamide Formula: C16H20F3N3O4S MolecularWeight: 407.40791

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)NCC(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)NCC(F)(F)F

InChI

InChI=1S/C16H20F3N3O4S/c1-27(25,26)22-7-5-11(6-8-22)15(24)21-13-4-2-3-12(9-13)14(23)20-10-16(17,18)19/h2-4,9,11H,5-8,10H2,1H3,(H,20,23)(H,21,24)