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

Systemtic Name: [2-(3-fluorophenyl)-5-propan-2-yl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(3-fluorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-fluorophenyl)-5-propan-2-ylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC(=CC=C3)F)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC(=CC=C3)F)C(C)C)C

InChI

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