[4,5-dimethyl-2-(2-phenoxyethyl)pyrazol-3-yl] 2-fluoranylbenzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)CCOC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(N(N=C1C)CCOC2=CC=CC=C2)OS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H19FN2O4S/c1-14-15(2)21-22(12-13-25-16-8-4-3-5-9-16)19(14)26-27(23,24)18-11-7-6-10-17(18)20/h3-11H,12-13H2,1-2H3