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

Systemtic Name: 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-(3-cyclopentyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-(3-cyclopentylpropanoyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C19H26N2O7S2 MolecularWeight: 458.54894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCC3)C(=O)O

InChI

InChI=1S/C19H26N2O7S2/c1-12-15(17(23)24)19(29-16(12)18(25)26)30(27,28)21-10-8-20(9-11-21)14(22)7-6-13-4-2-3-5-13/h13H,2-11H2,1H3,(H,23,24)(H,25,26)