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

Systemtic Name: 5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-(4-p-phenetylsulfonylpiperazine-1-carbonyl)pyrazole-4-carboxylic acid Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C18H22N4O6S/c1-3-28-13-4-6-14(7-5-13)29(26,27)22-10-8-21(9-11-22)17(23)16-15(18(24)25)12-19-20(16)2/h4-7,12H,3,8-11H2,1-2H3,(H,24,25)