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

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[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=C(C=C1C(=O)O)S(=O)(=O)N2CCN(CC2)CCO

Isomeric SMILES

CN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCN(CC2)CCO

InChI

InChI=1S/C12H19N3O5S/c1-13-9-10(8-11(13)12(17)18)21(19,20)15-4-2-14(3-5-15)6-7-16/h8-9,16H,2-7H2,1H3,(H,17,18)