N-[1-[4-(1,3-benzodioxol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]-4-bicyclo[2.2.2]octanyl]thiophene-2-sulfonamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]-4-bicyclo[2.2.2]octanyl]thiophene-2-sulfonamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridyl)-1H-imidazol-2-yl]-4-bicyclo[2.2.2]octanyl]thiophene-2-sulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-4-bicyclo[2.2.2]octanyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]-4-bicyclo[2.2.2]octanyl]thiophene-2-sulfonamide Traditional Name: N-[1-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridyl)-1H-imidazol-2-yl]-4-bicyclo[2.2.2]octanyl]thiophene-2-sulfonamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=C(N=C(N2)C34CCC(CC3)(CC4)NS(=O)(=O)C5=CC=CS5)C6=CC7=C(C=C6)OCO7

Isomeric SMILES

CC1=CC=CC(=N1)C2=C(N=C(N2)C34CCC(CC3)(CC4)NS(=O)(=O)C5=CC=CS5)C6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C28H28N4O4S2/c1-18-4-2-5-20(29-18)25-24(19-7-8-21-22(16-19)36-17-35-21)30-26(31-25)27-9-12-28(13-10-27,14-11-27)32-38(33,34)23-6-3-15-37-23/h2-8,15-16,32H,9-14,17H2,1H3,(H,30,31)