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

Systemtic Name: 3-methyl-5-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-[4-[2-(3-thienyl)acetyl]piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]sulfonylthiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-[4-[2-(3-thienyl)acetyl]piperazino]sulfonyl-thiophene-2,4-dicarboxylic acid Formula: C17H18N2O7S3 MolecularWeight: 458.52902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CSC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CSC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O7S3/c1-10-13(15(21)22)17(28-14(10)16(23)24)29(25,26)19-5-3-18(4-6-19)12(20)8-11-2-7-27-9-11/h2,7,9H,3-6,8H2,1H3,(H,21,22)(H,23,24)