4-[5-(4-methoxy-3-propyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-methoxy-3-propyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(4-methoxy-3-propyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(4-methoxy-3-propylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(4-methoxy-3-propylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(4-methoxy-3-propyl-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C20H20F3N3O3S MolecularWeight: 439.45131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)OC

InChI

InChI=1S/C20H20F3N3O3S/c1-3-4-14-11-13(5-10-18(14)29-2)17-12-19(20(21,22)23)25-26(17)15-6-8-16(9-7-15)30(24,27)28/h5-12H,3-4H2,1-2H3,(H2,24,27,28)