(2-nitrophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2-nitrobenzyl) ester Formula: C20H19F3N2O6S MolecularWeight: 472.43487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H19F3N2O6S/c21-20(22,23)16-6-2-4-8-18(16)32(29,30)24-11-9-14(10-12-24)19(26)31-13-15-5-1-3-7-17(15)25(27)28/h1-8,14H,9-13H2