2-[5-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]-2-thienyl]acetic acid CAS Name: 2-[5-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophen-2-yl]acetic acid Traditional Name: 2-[5-(4-methylolpiperidino)sulfonyl-2-thienyl]acetic acid Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)S(=O)(=O)C2=CC=C(S2)CC(=O)O

Isomeric SMILES

C1CN(CCC1CO)S(=O)(=O)C2=CC=C(S2)CC(=O)O

InChI

InChI=1S/C12H17NO5S2/c14-8-9-3-5-13(6-4-9)20(17,18)12-2-1-10(19-12)7-11(15)16/h1-2,9,14H,3-8H2,(H,15,16)