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

Systemtic Name: 2-methyl-4-(4-methylsulfonylpiperazin-1-yl)carbonyl-pyrazole-3-carboxylic acid Openeye Name: 2-methyl-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrazole-3-carboxylic acid CAS Name: 2-methyl-4-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrazole-3-carboxylic acid Traditional Name: 4-(4-mesylpiperazine-1-carbonyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C11H16N4O5S MolecularWeight: 316.33354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)N2CCN(CC2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)C(=O)N2CCN(CC2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C11H16N4O5S/c1-13-9(11(17)18)8(7-12-13)10(16)14-3-5-15(6-4-14)21(2,19)20/h7H,3-6H2,1-2H3,(H,17,18)