3-(4-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium

Systemtic Name: 3-(4-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium Openeye Name: 3-(4-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium CAS Name: 3-(4-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium IUPAC Name: 3-(4-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium Traditional Name: 3-nosyl-1H-benzimidazol-3-ium Formula: C13H10N3O4S+ MolecularWeight: 304.3012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S/c17-16(18)10-5-7-11(8-6-10)21(19,20)15-9-14-12-3-1-2-4-13(12)15/h1-9H/p+1