1-methyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(4-besylpiperazine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c1-18-14(13(11-17-18)16(22)23)15(21)19-7-9-20(10-8-19)26(24,25)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,22,23)