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

Systemtic Name: [2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(4-methoxyphenyl)azanide Openeye Name: [2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(4-methoxyphenyl)azanide CAS Name: [2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(4-methoxyphenyl)azanide IUPAC Name: [2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(4-methoxyphenyl)azanide Traditional Name: [2-[(4-cyanophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(4-methoxyphenyl)azanide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC3=C(C=C2)[NH+]=C(N3)COC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC3=C(C=C2)[NH+]=C(N3)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H17N4O4S/c1-29-17-8-4-16(5-9-17)26-31(27,28)19-10-11-20-21(12-19)25-22(24-20)14-30-18-6-2-15(13-23)3-7-18/h2-12H,14H2,1H3,(H,24,25)/q-1/p+1