5-(4-butoxyphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(4-butoxyphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(4-butoxyphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(4-butoxyphenyl)-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(4-butoxyphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(4-butoxyphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C20H20F3N3O3S MolecularWeight: 439.45131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O3S/c1-2-3-11-29-16-7-5-14(6-8-16)15-12-17(20(21,22)23)19(26-10-4-9-25-26)18(13-15)30(24,27)28/h4-10,12-13H,2-3,11H2,1H3,(H2,24,27,28)