4-methyl-3-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-[(3-hydroxy-1-piperidyl)sulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(3-hydroxy-1-piperidinyl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-(3-hydroxypiperidin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(3-hydroxypiperidino)sulfonyl-4-methyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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