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

Systemtic Name: 1-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-(4-methylsulfonyl-1-piperazinyl)-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-(4-mesylpiperazino)propyl]pyrazole-4-carboxylic acid Formula: C12H18N4O5S MolecularWeight: 330.36012

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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)