3-fluoranyl-4-methyl-5-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-fluoro-5-[(3-hydroxy-1-piperidyl)sulfonyl]-4-methyl-benzoic acid CAS Name: 3-fluoro-5-[(3-hydroxy-1-piperidinyl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-fluoro-5-(3-hydroxypiperidin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-fluoro-5-(3-hydroxypiperidino)sulfonyl-4-methyl-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N2CCCC(C2)O)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N2CCCC(C2)O)C(=O)O)F

InChI

InChI=1S/C13H16FNO5S/c1-8-11(14)5-9(13(17)18)6-12(8)21(19,20)15-4-2-3-10(16)7-15/h5-6,10,16H,2-4,7H2,1H3,(H,17,18)