3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid

Systemtic Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Openeye Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid CAS Name: 3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 3-(4-isobutyrylpiperazino)sulfonyl-2-thenoic acid Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)O

InChI

InChI=1S/C13H18N2O5S2/c1-9(2)12(16)14-4-6-15(7-5-14)22(19,20)10-3-8-21-11(10)13(17)18/h3,8-9H,4-7H2,1-2H3,(H,17,18)