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

Systemtic Name: 3-methyl-5-[4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-(4-benzoylpiperazin-1-yl)sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[(4-benzoyl-1-piperazinyl)sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-(4-benzoylpiperazin-1-yl)sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-(4-benzoylpiperazino)sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C18H18N2O7S2 MolecularWeight: 438.47472

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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=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S2/c1-11-13(16(22)23)18(28-14(11)17(24)25)29(26,27)20-9-7-19(8-10-20)15(21)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,22,23)(H,24,25)