5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole

Systemtic Name: 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole Openeye Name: 5-(4-methylsulfonylphenoxy)-2-(2-pyridyl)-6-pyrrolidin-2-yl-1H-benzimidazole CAS Name: 5-(4-methylsulfonylphenoxy)-2-(2-pyridinyl)-6-(2-pyrrolidinyl)-1H-benzimidazole IUPAC Name: 5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole Traditional Name: 5-(4-mesylphenoxy)-2-(2-pyridyl)-6-pyrrolidin-2-yl-1H-benzimidazole Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC3=C(C=C2C4CCCN4)NC(=N3)C5=CC=CC=N5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC3=C(C=C2C4CCCN4)NC(=N3)C5=CC=CC=N5

InChI

InChI=1S/C23H22N4O3S/c1-31(28,29)16-9-7-15(8-10-16)30-22-14-21-20(13-17(22)18-6-4-12-24-18)26-23(27-21)19-5-2-3-11-25-19/h2-3,5,7-11,13-14,18,24H,4,6,12H2,1H3,(H,26,27)