3-methyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid

Systemtic Name: 3-methyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2,4-dicarboxylic acid Traditional Name: 5-(4-isobutyrylpiperazino)sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C15H20N2O7S2 MolecularWeight: 404.4585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)C(C)C)C(=O)O

InChI

InChI=1S/C15H20N2O7S2/c1-8(2)12(18)16-4-6-17(7-5-16)26(23,24)15-10(13(19)20)9(3)11(25-15)14(21)22/h8H,4-7H2,1-3H3,(H,19,20)(H,21,22)