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

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-(4-oxidanylpiperidin-1-yl)benzoic acid Openeye Name: 2-chloro-3-(4-hydroxy-1-piperidyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(4-hydroxy-1-piperidinyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(4-hydroxypiperidin-1-yl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-(4-hydroxypiperidino)-4-mesyl-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)N2CCC(CC2)O

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)N2CCC(CC2)O

InChI

InChI=1S/C13H16ClNO5S/c1-21(19,20)10-3-2-9(13(17)18)11(14)12(10)15-6-4-8(16)5-7-15/h2-3,8,16H,4-7H2,1H3,(H,17,18)