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

Systemtic Name: 2-methyl-5-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-[(3-hydroxy-1-piperidyl)sulfonyl]-2-methyl-benzoic acid CAS Name: 5-[(3-hydroxy-1-piperidinyl)sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-(3-hydroxypiperidin-1-yl)sulfonyl-2-methylbenzoic acid Traditional Name: 5-(3-hydroxypiperidino)sulfonyl-2-methyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)O)C(=O)O

InChI

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