2-[3-(4-ethylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(4-ethylsulfonylpiperazin-1-yl)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(4-ethylsulfonylpiperazin-1-yl)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(4-ethylsulfonyl-1-piperazinyl)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(4-ethylsulfonylpiperazin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(4-esylpiperazino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H20N4O5S MolecularWeight: 344.3867

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C13H20N4O5S/c1-2-23(21,22)16-9-7-15(8-10-16)12(18)4-6-17-11(13(19)20)3-5-14-17/h3,5H,2,4,6-10H2,1H3,(H,19,20)