4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-(3-methylolpiperidino)sulfonyl-pyrrole-2-carboxylic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCC(C2)CO

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCC(C2)CO

InChI

InChI=1S/C12H18N2O5S/c1-13-7-10(5-11(13)12(16)17)20(18,19)14-4-2-3-9(6-14)8-15/h5,7,9,15H,2-4,6,8H2,1H3,(H,16,17)