3-(4-ethylsulfonylpiperazin-1-yl)carbonyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-ethylsulfonylpiperazin-1-yl)carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-ethylsulfonylpiperazine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-ethylsulfonylpiperazine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(4-esylpiperazine-1-carbonyl)-1-methyl-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)C2=NN(C=C2C(=O)O)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=NN(C=C2C(=O)O)C

InChI

InChI=1S/C12H18N4O5S/c1-3-22(20,21)16-6-4-15(5-7-16)11(17)10-9(12(18)19)8-14(2)13-10/h8H,3-7H2,1-2H3,(H,18,19)