5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-oxidanyl-benzoate Openeye Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-hydroxy-benzoate CAS Name: 5-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-hydroxybenzoate IUPAC Name: 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-hydroxybenzoate Traditional Name: 5-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-2-hydroxy-benzoate Formula: C14H18NO5S- MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-9-5-10(2)8-15(7-9)21(19,20)11-3-4-13(16)12(6-11)14(17)18/h3-4,6,9-10,16H,5,7-8H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1