2-methyl-5-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoic acid Openeye Name: 4-(3-hydroxy-1-piperidyl)-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(3-hydroxy-1-piperidinyl)-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-(3-hydroxypiperidin-1-yl)-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-(3-hydroxypiperidino)-5-mesyl-2-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2CCCC(C2)O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2CCCC(C2)O

InChI

InChI=1S/C14H19NO5S/c1-9-6-12(15-5-3-4-10(16)8-15)13(21(2,19)20)7-11(9)14(17)18/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18)