1-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1R)-1-methyl-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2R)-1-(4-methylsulfonyl-1-piperazinyl)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1R)-2-keto-2-(4-mesylpiperazino)-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O5S/c1-9(16-8-10(7-13-16)12(18)19)11(17)14-3-5-15(6-4-14)22(2,20)21/h7-9H,3-6H2,1-2H3,(H,18,19)/t9-/m1/s1