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

Systemtic Name: 5-[4-[2-(2-chlorophenyl)ethanoyl]piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-[2-(2-chlorophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-[2-(2-chlorophenyl)acetyl]piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C19H19ClN2O7S2 MolecularWeight: 486.94636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C19H19ClN2O7S2/c1-11-15(17(24)25)19(30-16(11)18(26)27)31(28,29)22-8-6-21(7-9-22)14(23)10-12-4-2-3-5-13(12)20/h2-5H,6-10H2,1H3,(H,24,25)(H,26,27)