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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-(methoxymethyl)-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(2,4-dimethylphenyl)-5-(methoxymethyl)pyrazol-3-yl] ester Formula: C19H19FN2O4S MolecularWeight: 390.428563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O4S/c1-13-4-9-18(14(2)10-13)22-19(11-16(21-22)12-25-3)26-27(23,24)17-7-5-15(20)6-8-17/h4-11H,12H2,1-3H3