5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-2-fluoro-benzoic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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