[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-[4-(2-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H23FN4O5S MolecularWeight: 438.473123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H23FN4O5S/c1-13-18(14(2)22(3)21-13)19(26)29-12-17(25)23-8-10-24(11-9-23)30(27,28)16-7-5-4-6-15(16)20/h4-7H,8-12H2,1-3H3