1-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-(4-methylsulfonyl-1-piperazinyl)-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-keto-2-(4-mesylpiperazino)-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C12H17N4O5S- MolecularWeight: 329.35218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C)N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C12H18N4O5S/c1-9(16-4-3-10(13-16)12(18)19)11(17)14-5-7-15(8-6-14)22(2,20)21/h3-4,9H,5-8H2,1-2H3,(H,18,19)/p-1/t9-/m1/s1