1-ethyl-4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-ethyl-4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-ethyl-4-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrrole-2-carboxylic acid CAS Name: 1-ethyl-4-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-ethyl-4-[4-(hydroxymethyl)piperidin-1-yl]sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-ethyl-4-(4-methylolpiperidino)sulfonyl-pyrrole-2-carboxylic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC(CC2)CO

Isomeric SMILES

CCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCC(CC2)CO

InChI

InChI=1S/C13H20N2O5S/c1-2-14-8-11(7-12(14)13(17)18)21(19,20)15-5-3-10(9-16)4-6-15/h7-8,10,16H,2-6,9H2,1H3,(H,17,18)