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

Systemtic Name: dimethyl 3-methyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2,4-dicarboxylate Traditional Name: 5-(4-isobutyrylpiperazino)sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H24N2O7S2 MolecularWeight: 432.51166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)C(C)C)C(=O)OC

InChI

InChI=1S/C17H24N2O7S2/c1-10(2)14(20)18-6-8-19(9-7-18)28(23,24)17-12(15(21)25-4)11(3)13(27-17)16(22)26-5/h10H,6-9H2,1-5H3