4-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: 4-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-methyl-5-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2-hydroxy-4-methyl-5-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 2-hydroxy-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-hydroxy-4-methyl-5-[(2S)-2-methylpiperidino]sulfonyl-benzoate Formula: C14H18NO5S- MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])O)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])O)C

InChI

InChI=1S/C14H19NO5S/c1-9-7-12(16)11(14(17)18)8-13(9)21(19,20)15-6-4-3-5-10(15)2/h7-8,10,16H,3-6H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1