1-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylate

Systemtic Name: 1-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]pyrazole-4-carboxylate CAS Name: 1-[3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylate Traditional Name: 1-[3-keto-3-(4-mesylpiperazino)propyl]pyrazole-4-carboxylate Formula: C12H17N4O5S- MolecularWeight: 329.35218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CCN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CCN2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C12H18N4O5S/c1-22(20,21)16-6-4-14(5-7-16)11(17)2-3-15-9-10(8-13-15)12(18)19/h8-9H,2-7H2,1H3,(H,18,19)/p-1