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

Systemtic Name: [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] 4-fluoranylbenzenesulfonate Openeye Name: [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-methyl-2-(2-phenoxyethyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] ester Formula: C18H17FN2O4S MolecularWeight: 376.401983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CCOC3=CC=CC=C3

InChI

InChI=1S/C18H17FN2O4S/c1-14-13-18(25-26(22,23)17-9-7-15(19)8-10-17)21(20-14)11-12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3