5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[4-(2-hydroxyethyl)piperazino]sulfonyl-3-methyl-2-thenoic acid Formula: C12H18N2O5S2 MolecularWeight: 334.41172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)N2CCN(CC2)CCO)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)N2CCN(CC2)CCO)C(=O)O

InChI

InChI=1S/C12H18N2O5S2/c1-9-8-10(20-11(9)12(16)17)21(18,19)14-4-2-13(3-5-14)6-7-15/h8,15H,2-7H2,1H3,(H,16,17)