[5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [5-ethyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=C(C=C(C=C2C)C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O3S/c1-5-17-12-19(23(22-17)18-8-6-16(21)7-9-18)26-27(24,25)20-14(3)10-13(2)11-15(20)4/h6-12H,5H2,1-4H3