(2-nitrophenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (2-nitrobenzyl) ester Formula: C19H19FN2O6S MolecularWeight: 422.427363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O6S/c20-16-7-9-17(10-8-16)29(26,27)21-11-3-5-14(12-21)19(23)28-13-15-4-1-2-6-18(15)22(24)25/h1-2,4,6-10,14H,3,5,11-13H2