2-[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[(3-hydroxy-1-piperidyl)sulfonyl]phenyl]acetic acid CAS Name: 2-[4-[(3-hydroxy-1-piperidinyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[4-(3-hydroxypiperidino)sulfonylphenyl]acetic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)O)O

InChI

InChI=1S/C13H17NO5S/c15-11-2-1-7-14(9-11)20(18,19)12-5-3-10(4-6-12)8-13(16)17/h3-6,11,15H,1-2,7-9H2,(H,16,17)