5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-[4-(2-hydroxyethyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)CCO)C(=O)O

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CCN(CC2)CCO)C(=O)O

InChI

InChI=1S/C12H19N3O5S/c1-13-10(12(17)18)2-3-11(13)21(19,20)15-6-4-14(5-7-15)8-9-16/h2-3,16H,4-9H2,1H3,(H,17,18)