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

Systemtic Name: [2-(4-fluorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-(4-fluorophenyl)-5-isopropyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(4-fluorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-(4-fluorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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)NC(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c1-13(2)19-12-20(24(23-19)17-8-4-15(21)5-9-17)28-29(26,27)18-10-6-16(7-11-18)22-14(3)25/h4-13H,1-3H3,(H,22,25)