1-[2-[2-(5-ethenylpyridin-2-yl)-6-(4-methylsulfonylphenoxy)-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[2-[2-(5-ethenylpyridin-2-yl)-6-(4-methylsulfonylphenoxy)-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone Openeye Name: 1-[2-[6-(4-methylsulfonylphenoxy)-2-(5-vinyl-2-pyridyl)-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone CAS Name: 1-[2-[2-(5-ethenyl-2-pyridinyl)-6-(4-methylsulfonylphenoxy)-3H-benzimidazol-5-yl]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[2-[2-(5-ethenylpyridin-2-yl)-6-(4-methylsulfonylphenoxy)-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone Traditional Name: 1-[2-[6-(4-mesylphenoxy)-2-(5-vinyl-2-pyridyl)-3H-benzimidazol-5-yl]pyrrolidino]ethanone Formula: C27H26N4O4S MolecularWeight: 502.58474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C2=CC3=C(C=C2OC4=CC=C(C=C4)S(=O)(=O)C)N=C(N3)C5=NC=C(C=C5)C=C

Isomeric SMILES

CC(=O)N1CCCC1C2=CC3=C(C=C2OC4=CC=C(C=C4)S(=O)(=O)C)N=C(N3)C5=NC=C(C=C5)C=C

InChI

InChI=1S/C27H26N4O4S/c1-4-18-7-12-22(28-16-18)27-29-23-14-21(25-6-5-13-31(25)17(2)32)26(15-24(23)30-27)35-19-8-10-20(11-9-19)36(3,33)34/h4,7-12,14-16,25H,1,5-6,13H2,2-3H3,(H,29,30)