(3S)-1-(4-ethylsulfonyl-2-fluoranyl-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-ethylsulfonyl-2-fluoranyl-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(4-ethylsulfonyl-2-fluoro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(4-ethylsulfonyl-2-fluorophenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-ethylsulfonyl-2-fluorophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-esyl-2-fluoro-phenyl)nipecotate Formula: C14H17FNO4S- MolecularWeight: 314.352483

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)[O-])F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@@H](C2)C(=O)[O-])F

InChI

InChI=1S/C14H18FNO4S/c1-2-21(19,20)11-5-6-13(12(15)8-11)16-7-3-4-10(9-16)14(17)18/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)/p-1/t10-/m0/s1