2-[3-(4-ethylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-ethylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-ethylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid CAS Name: 2-[3-[(4-ethylsulfonyl-1-piperazinyl)-oxomethyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3-(4-ethylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[3-(4-esylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=NN(C=C2)CC(=O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=NN(C=C2)CC(=O)O

InChI

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