1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(4-ethylsulfonyl-1-piperazinyl)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(4-esylpiperazino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)CN2C=C(C=N2)C(=O)O

InChI

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