1-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[4-(1-methylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]pyrazole-4-carboxylic acid Formula: C14H18N6O5S MolecularWeight: 382.39492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C14H18N6O5S/c1-17-9-10(7-15-17)26(24,25)20-5-3-19(4-6-20)13(21)12-11(14(22)23)8-16-18(12)2/h7-9H,3-6H2,1-2H3,(H,22,23)