ethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate CAS Name: 5-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1H-pyrazole-3-carboxylate Traditional Name: 5-[4-(2-fluorophenyl)piperazino]sulfonyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C16H19FN4O4S MolecularWeight: 382.409863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C16H19FN4O4S/c1-2-25-16(22)13-11-15(19-18-13)26(23,24)21-9-7-20(8-10-21)14-6-4-3-5-12(14)17/h3-6,11H,2,7-10H2,1H3,(H,18,19)