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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC(=C3C)C

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H21FN2O3S/c1-4-6-17-13-20(23(22-17)19-8-5-7-14(2)15(19)3)26-27(24,25)18-11-9-16(21)10-12-18/h5,7-13H,4,6H2,1-3H3