2-[(E)-2-(1,3-benzodioxol-5-yl)-1-(phenylsulfonyl)ethenyl]-1H-benzimidazole

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)-1-(phenylsulfonyl)ethenyl]-1H-benzimidazole Openeye Name: 2-[(E)-1-(benzenesulfonyl)-2-(1,3-benzodioxol-5-yl)vinyl]-1H-benzimidazole CAS Name: 2-[(E)-1-(benzenesulfonyl)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-benzimidazole IUPAC Name: 2-[(E)-1-(benzenesulfonyl)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-benzimidazole Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)-1-besyl-vinyl]-1H-benzimidazole Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=CC=CC=C4N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C3=NC4=CC=CC=C4N3)/S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H16N2O4S/c25-29(26,16-6-2-1-3-7-16)21(22-23-17-8-4-5-9-18(17)24-22)13-15-10-11-19-20(12-15)28-14-27-19/h1-13H,14H2,(H,23,24)/b21-13+