3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-fluoranyl-benzoate

Systemtic Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-fluoranyl-benzoate Openeye Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-4-fluoro-benzoate CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-4-fluorobenzoate IUPAC Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-fluorobenzoate Traditional Name: 3-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-4-fluoro-benzoate Formula: C14H17FNO4S- MolecularWeight: 314.352483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])F)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])F)C

InChI

InChI=1S/C14H18FNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)13-6-11(14(17)18)3-4-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1