2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]-1H-benzimidazole

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]-1H-benzimidazole Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]-1H-benzimidazole CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]-1H-benzimidazole IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]-1H-benzimidazole Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonyl]-1H-benzimidazole Formula: C16H13BrN2O4S MolecularWeight: 409.25442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CS(=O)(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CS(=O)(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H13BrN2O4S/c17-11-8-15-14(22-5-6-23-15)7-10(11)9-24(20,21)16-18-12-3-1-2-4-13(12)19-16/h1-4,7-8H,5-6,9H2,(H,18,19)