methyl 3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-(4-isobutyrylpiperazino)sulfonylthiophene-2-carboxylic acid methyl ester Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C14H20N2O5S2/c1-10(2)13(17)15-5-7-16(8-6-15)23(19,20)11-4-9-22-12(11)14(18)21-3/h4,9-10H,5-8H2,1-3H3