4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylic acid

Systemtic Name: 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylic acid Openeye Name: 4-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]-2,5-dimethyl-furan-3-carboxylic acid CAS Name: 4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]-2,5-dimethyl-3-furancarboxylic acid IUPAC Name: 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-(3-methylolpiperidino)sulfonyl-3-furoic acid Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCC(C2)CO)C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCC(C2)CO)C(=O)O

InChI

InChI=1S/C13H19NO6S/c1-8-11(13(16)17)12(9(2)20-8)21(18,19)14-5-3-4-10(6-14)7-15/h10,15H,3-7H2,1-2H3,(H,16,17)