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

Systemtic Name: 5-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-(4-chlorobenzoyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C18H17ClN2O7S2 MolecularWeight: 472.91978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H17ClN2O7S2/c1-10-13(16(23)24)18(29-14(10)17(25)26)30(27,28)21-8-6-20(7-9-21)15(22)11-2-4-12(19)5-3-11/h2-5H,6-9H2,1H3,(H,23,24)(H,25,26)