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

Systemtic Name: 5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-[4-(3-fluorobenzoyl)piperazino]sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C18H17FN2O7S2 MolecularWeight: 456.465183

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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)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O7S2/c1-10-13(16(23)24)18(29-14(10)17(25)26)30(27,28)21-7-5-20(6-8-21)15(22)11-3-2-4-12(19)9-11/h2-4,9H,5-8H2,1H3,(H,23,24)(H,25,26)