2-[2-(phenylmethyl)-3-sulfonyl-imidazol-3-ium-4-yl]sulfonyl-1H-benzimidazole

Systemtic Name: 2-[2-(phenylmethyl)-3-sulfonyl-imidazol-3-ium-4-yl]sulfonyl-1H-benzimidazole Openeye Name: 2-(2-benzyl-3-sulfonyl-imidazol-3-ium-4-yl)sulfonyl-1H-benzimidazole CAS Name: 2-[[2-(phenylmethyl)-3-sulfonyl-4-imidazol-3-iumyl]sulfonyl]-1H-benzimidazole IUPAC Name: 2-(2-benzyl-3-sulfonylimidazol-3-ium-4-yl)sulfonyl-1H-benzimidazole Traditional Name: 2-(2-benzyl-3-sulfonyl-imidazol-3-ium-4-yl)sulfonyl-1H-benzimidazole Formula: C17H13N4O4S2+ MolecularWeight: 401.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC=C([N+]2=S(=O)=O)S(=O)(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC=C([N+]2=S(=O)=O)S(=O)(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H13N4O4S2/c22-26(23)21-15(10-12-6-2-1-3-7-12)18-11-16(21)27(24,25)17-19-13-8-4-5-9-14(13)20-17/h1-9,11H,10H2,(H,19,20)/q+1