5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-3-methylthiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(2-methylolpiperidino)sulfonyl-2-thenoic acid Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)N2CCCCC2CO)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)N2CCCCC2CO)C(=O)O

InChI

InChI=1S/C12H17NO5S2/c1-8-6-10(19-11(8)12(15)16)20(17,18)13-5-3-2-4-9(13)7-14/h6,9,14H,2-5,7H2,1H3,(H,15,16)