[5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S/c1-5-17-14-20(24(23-17)18-10-8-16(22)9-11-18)27-28(25,26)19-12-6-15(7-13-19)21(2,3)4/h6-14H,5H2,1-4H3