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

Systemtic Name: 2-chloranyl-5-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoic acid Openeye Name: 2-chloro-4-(3-hydroxy-1-piperidyl)-5-methylsulfonyl-benzoic acid CAS Name: 2-chloro-4-(3-hydroxy-1-piperidinyl)-5-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-4-(3-hydroxypiperidin-1-yl)-5-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-(3-hydroxypiperidino)-5-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)N2CCCC(C2)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-21(19,20)12-5-9(13(17)18)10(14)6-11(12)15-4-2-3-8(16)7-15/h5-6,8,16H,2-4,7H2,1H3,(H,17,18)