[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CN(N=C3)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C19H22N4O6S/c1-14(24)15-3-5-17(6-4-15)30(27,28)23-9-7-22(8-10-23)18(25)13-29-19(26)16-11-20-21(2)12-16/h3-6,11-12H,7-10,13H2,1-2H3