[2-[(4-methanoylphenyl)carbonyloxymethyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide

Systemtic Name: [2-[(4-methanoylphenyl)carbonyloxymethyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide Openeye Name: [2-[(4-formylbenzoyl)oxymethyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide CAS Name: [2-[[(4-formylphenyl)-oxomethoxy]methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide IUPAC Name: [2-[(4-formylbenzoyl)oxymethyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide Traditional Name: [2-[(4-formylbenzoyl)oxymethyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(2-methoxyphenyl)azanide Formula: C23H19N3O6S MolecularWeight: 465.47846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)[NH+]=C(N3)COC(=O)C4=CC=C(C=C4)C=O

Isomeric SMILES

COC1=CC=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)[NH+]=C(N3)COC(=O)C4=CC=C(C=C4)C=O

InChI

InChI=1S/C23H18N3O6S/c1-31-21-5-3-2-4-19(21)26-33(29,30)17-10-11-18-20(12-17)25-22(24-18)14-32-23(28)16-8-6-15(13-27)7-9-16/h2-13H,14H2,1H3,(H,24,25)/q-1/p+1