5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-3-methylthiophene-2,4-dicarboxylate IUPAC Name: 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonyl-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-pivaloylpiperazino)sulfonyl-thiophene-2,4-dicarboxylate Formula: C16H20N2O7S2-2 MolecularWeight: 416.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=C1C(=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C16H22N2O7S2/c1-9-10(12(19)20)14(26-11(9)13(21)22)27(24,25)18-7-5-17(6-8-18)15(23)16(2,3)4/h5-8H2,1-4H3,(H,19,20)(H,21,22)/p-2