[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-phenyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-phenyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C18H14F3N3O4S MolecularWeight: 425.38167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O4S/c1-12(25)22-13-7-9-15(10-8-13)29(26,27)28-17-11-16(18(19,20)21)23-24(17)14-5-3-2-4-6-14/h2-11H,1H3,(H,22,25)