4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[2-(2-hydroxyethyl)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[2-(2-hydroxyethyl)-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[2-(2-hydroxyethyl)piperidino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCCC2CCO

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCCC2CCO

InChI

InChI=1S/C13H20N2O5S/c1-14-9-11(8-12(14)13(17)18)21(19,20)15-6-3-2-4-10(15)5-7-16/h8-10,16H,2-7H2,1H3,(H,17,18)