3-(4-methylsulfonylphenyl)-1H-benzimidazol-3-ium-2-amine

Systemtic Name: 3-(4-methylsulfonylphenyl)-1H-benzimidazol-3-ium-2-amine Openeye Name: 3-(4-methylsulfonylphenyl)-1H-benzimidazol-3-ium-2-amine CAS Name: 3-(4-methylsulfonylphenyl)-1H-benzimidazol-3-ium-2-amine IUPAC Name: 3-(4-methylsulfonylphenyl)-1H-benzimidazol-3-ium-2-amine Traditional Name: [3-(4-mesylphenyl)-1H-benzimidazol-3-ium-2-yl]amine Formula: C14H14N3O2S+ MolecularWeight: 288.34486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)[N+]2=C(NC3=CC=CC=C32)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[N+]2=C(NC3=CC=CC=C32)N

InChI

InChI=1S/C14H13N3O2S/c1-20(18,19)11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)/p+1