[2-[1-(4-fluorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[1-(4-fluorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[1-(4-fluorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[1-(4-fluorophenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[1-(4-fluorophenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C18H16F2N2O3S MolecularWeight: 378.393046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F2N2O3S/c1-12-11-18(25-26(23,24)17-9-7-16(20)8-10-17)22(21-12)13(2)14-3-5-15(19)6-4-14/h3-11,13H,1-2H3