[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-fluoranylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-tert-butyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2O3S/c1-14-5-9-16(10-6-14)23-19(13-18(22-23)20(2,3)4)26-27(24,25)17-11-7-15(21)8-12-17/h5-13H,1-4H3