ethyl (3S)-1-(4-fluoranyl-3-nitro-phenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-fluoranyl-3-nitro-phenyl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-fluoro-3-nitro-phenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-fluoro-3-nitrophenyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-fluoro-3-nitrophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluoro-3-nitro-phenyl)sulfonylnipecotic acid ethyl ester Formula: C14H17FN2O6S MolecularWeight: 360.357983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17FN2O6S/c1-2-23-14(18)10-4-3-7-16(9-10)24(21,22)11-5-6-12(15)13(8-11)17(19)20/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1