(2S)-1-(2-fluoranyl-4-methylsulfonyl-phenyl)piperidine-2-carboxylate

Systemtic Name: (2S)-1-(2-fluoranyl-4-methylsulfonyl-phenyl)piperidine-2-carboxylate Openeye Name: (2S)-1-(2-fluoro-4-methylsulfonyl-phenyl)piperidine-2-carboxylate CAS Name: (2S)-1-(2-fluoro-4-methylsulfonylphenyl)-2-piperidinecarboxylate IUPAC Name: (2S)-1-(2-fluoro-4-methylsulfonylphenyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-fluoro-4-mesyl-phenyl)pipecolinate Formula: C13H15FNO4S- MolecularWeight: 300.325903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2C(=O)[O-])F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC[C@H]2C(=O)[O-])F

InChI

InChI=1S/C13H16FNO4S/c1-20(18,19)9-5-6-11(10(14)8-9)15-7-3-2-4-12(15)13(16)17/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)/p-1/t12-/m0/s1