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

Systemtic Name: 1-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-(4-tosylpiperazine-1-carbonyl)pyrazole-4-carboxylic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C17H20N4O5S/c1-12-3-5-13(6-4-12)27(25,26)21-9-7-20(8-10-21)16(22)15-14(17(23)24)11-18-19(15)2/h3-6,11H,7-10H2,1-2H3,(H,23,24)