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

Systemtic Name: (3S)-1-(2-fluoranyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-fluoro-4-methylsulfonyl-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-fluoro-4-methylsulfonylphenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-fluoro-4-methylsulfonylphenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-fluoro-4-mesyl-phenyl)nipecotate Formula: C13H15FNO4S- MolecularWeight: 300.325903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO4S/c1-20(18,19)10-4-5-12(11(14)7-10)15-6-2-3-9(8-15)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)/p-1/t9-/m0/s1