[2-(2,3-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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