5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid

Systemtic Name: 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid Openeye Name: 5-[[4-(methylcarbamoyl)-1-piperidyl]sulfonyl]furan-2-carboxylic acid CAS Name: 5-[[4-(methylcarbamoyl)-1-piperidinyl]sulfonyl]-2-furancarboxylic acid IUPAC Name: 5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid Traditional Name: 5-[4-(methylcarbamoyl)piperidino]sulfonyl-2-furoic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)O

Isomeric SMILES

CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-13-11(15)8-4-6-14(7-5-8)21(18,19)10-3-2-9(20-10)12(16)17/h2-3,8H,4-7H2,1H3,(H,13,15)(H,16,17)