[2-(3-fluorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-methoxybenzenesulfonate

Systemtic Name: [2-(3-fluorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-(3-fluorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-fluorophenyl)-5-propan-2-ylpyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C19H19FN2O4S MolecularWeight: 390.428563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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