3-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoic acid

Systemtic Name: 3-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoic acid Openeye Name: 4-(3-hydroxy-1-piperidyl)-3-methylsulfonyl-benzoic acid CAS Name: 4-(3-hydroxy-1-piperidinyl)-3-methylsulfonylbenzoic acid IUPAC Name: 4-(3-hydroxypiperidin-1-yl)-3-methylsulfonylbenzoic acid Traditional Name: 4-(3-hydroxypiperidino)-3-mesyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCC(C2)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCCC(C2)O

InChI

InChI=1S/C13H17NO5S/c1-20(18,19)12-7-9(13(16)17)4-5-11(12)14-6-2-3-10(15)8-14/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)