N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C29H30F3N3O2S2 MolecularWeight: 573.69261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30F3N3O2S2/c1-2-3-19-35-27(23-14-8-5-9-15-23)26(22-12-6-4-7-13-22)34-28(35)38-20-11-18-33-39(36,37)25-17-10-16-24(21-25)29(30,31)32/h4-10,12-17,21,33H,2-3,11,18-20H2,1H3