3-methyl-5-(4-propanoylpiperazin-1-yl)sulfonyl-thiophene-2,4-dicarboxylic acid

Systemtic Name: 3-methyl-5-(4-propanoylpiperazin-1-yl)sulfonyl-thiophene-2,4-dicarboxylic acid Openeye Name: 3-methyl-5-(4-propanoylpiperazin-1-yl)sulfonyl-thiophene-2,4-dicarboxylic acid CAS Name: 3-methyl-5-[[4-(1-oxopropyl)-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylic acid IUPAC Name: 3-methyl-5-(4-propanoylpiperazin-1-yl)sulfonylthiophene-2,4-dicarboxylic acid Traditional Name: 3-methyl-5-(4-propionylpiperazino)sulfonyl-thiophene-2,4-dicarboxylic acid Formula: C14H18N2O7S2 MolecularWeight: 390.43192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=C(S2)C(=O)O)C)C(=O)O

Isomeric SMILES

CCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=C(S2)C(=O)O)C)C(=O)O

InChI

InChI=1S/C14H18N2O7S2/c1-3-9(17)15-4-6-16(7-5-15)25(22,23)14-10(12(18)19)8(2)11(24-14)13(20)21/h3-7H2,1-2H3,(H,18,19)(H,20,21)