1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylate

Systemtic Name: 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylate Openeye Name: 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-4-pyrazolecarboxylate IUPAC Name: 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrazole-4-carboxylate Traditional Name: 1-[2-keto-2-(4-mesylpiperazino)ethyl]pyrazole-4-carboxylate Formula: C11H15N4O5S- MolecularWeight: 315.3256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CN2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C11H16N4O5S/c1-21(19,20)15-4-2-13(3-5-15)10(16)8-14-7-9(6-12-14)11(17)18/h6-7H,2-5,8H2,1H3,(H,17,18)/p-1