1-[4-(4-methylsulfonylphenyl)-1,3-benzodioxol-2-yl]-4-(trifluoromethyl)imidazole

Systemtic Name: 1-[4-(4-methylsulfonylphenyl)-1,3-benzodioxol-2-yl]-4-(trifluoromethyl)imidazole Openeye Name: 1-[4-(4-methylsulfonylphenyl)-1,3-benzodioxol-2-yl]-4-(trifluoromethyl)imidazole CAS Name: 1-[4-(4-methylsulfonylphenyl)-1,3-benzodioxol-2-yl]-4-(trifluoromethyl)imidazole IUPAC Name: 1-[4-(4-methylsulfonylphenyl)-1,3-benzodioxol-2-yl]-4-(trifluoromethyl)imidazole Traditional Name: 1-[4-(4-mesylphenyl)-1,3-benzodioxol-2-yl]-4-(trifluoromethyl)imidazole Formula: C18H13F3N2O4S MolecularWeight: 410.36703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)OC(O3)N4C=C(N=C4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)OC(O3)N4C=C(N=C4)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O4S/c1-28(24,25)12-7-5-11(6-8-12)13-3-2-4-14-16(13)27-17(26-14)23-9-15(22-10-23)18(19,20)21/h2-10,17H,1H3