3-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

Systemtic Name: 3-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid Openeye Name: 3-[[4-(methylcarbamoyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylic acid CAS Name: 3-[[4-(methylcarbamoyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 3-[4-(methylcarbamoyl)piperidino]sulfonyl-2-thenoic acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)O

Isomeric SMILES

CNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-13-11(15)8-2-5-14(6-3-8)21(18,19)9-4-7-20-10(9)12(16)17/h4,7-8H,2-3,5-6H2,1H3,(H,13,15)(H,16,17)