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

Systemtic Name: 5-[4-(2-cyclopentylethanoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-(2-cyclopentylacetyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C18H24N2O7S2 MolecularWeight: 444.52236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3CCCC3)C(=O)O

InChI

InChI=1S/C18H24N2O7S2/c1-11-14(16(22)23)18(28-15(11)17(24)25)29(26,27)20-8-6-19(7-9-20)13(21)10-12-4-2-3-5-12/h12H,2-10H2,1H3,(H,22,23)(H,24,25)