2-[[3-bromanyl-1-(phenylsulfonyl)indol-2-yl]methylsulfinyl]-1H-benzimidazole

Systemtic Name: 2-[[3-bromanyl-1-(phenylsulfonyl)indol-2-yl]methylsulfinyl]-1H-benzimidazole Openeye Name: 2-[[1-(benzenesulfonyl)-3-bromo-indol-2-yl]methylsulfinyl]-1H-benzimidazole CAS Name: 2-[[1-(benzenesulfonyl)-3-bromo-2-indolyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: 2-[[1-(benzenesulfonyl)-3-bromoindol-2-yl]methylsulfinyl]-1H-benzimidazole Traditional Name: 2-[(1-besyl-3-bromo-indol-2-yl)methylsulfinyl]-1H-benzimidazole Formula: C22H16BrN3O3S2 MolecularWeight: 514.41474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2CS(=O)C4=NC5=CC=CC=C5N4)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2CS(=O)C4=NC5=CC=CC=C5N4)Br

InChI

InChI=1S/C22H16BrN3O3S2/c23-21-16-10-4-7-13-19(16)26(31(28,29)15-8-2-1-3-9-15)20(21)14-30(27)22-24-17-11-5-6-12-18(17)25-22/h1-13H,14H2,(H,24,25)