ethyl 5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[4-(4-acetylphenyl)piperazino]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C18H22N4O5S/c1-3-27-18(24)16-12-19-20-17(16)28(25,26)22-10-8-21(9-11-22)15-6-4-14(5-7-15)13(2)23/h4-7,12H,3,8-11H2,1-2H3,(H,19,20)