[1-(benzimidazol-1-yl)-2-methyl-2-methylsulfonyl-3-oxidanyl-3-oxidanylidene-propylidene]-[bis(azanyl)methylidene]azanium

Systemtic Name: [1-(benzimidazol-1-yl)-2-methyl-2-methylsulfonyl-3-oxidanyl-3-oxidanylidene-propylidene]-[bis(azanyl)methylidene]azanium Openeye Name: [1-(benzimidazol-1-yl)-3-hydroxy-2-methyl-2-methylsulfonyl-3-oxo-propylidene]-(diaminomethylene)ammonium CAS Name: [1-(1-benzimidazolyl)-3-hydroxy-2-methyl-2-methylsulfonyl-3-oxopropylidene]-(diaminomethylidene)ammonium IUPAC Name: [1-(benzimidazol-1-yl)-3-hydroxy-2-methyl-2-methylsulfonyl-3-oxopropylidene]-(diaminomethylidene)azanium Traditional Name: [1-(benzimidazol-1-yl)-3-hydroxy-3-keto-2-mesyl-2-methyl-propylidene]-(diaminomethylene)ammonium Formula: C13H16N5O4S+ MolecularWeight: 338.36224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=[N+]=C(N)N)N1C=NC2=CC=CC=C21)(C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C(=[N+]=C(N)N)N1C=NC2=CC=CC=C21)(C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C13H15N5O4S/c1-13(11(19)20,23(2,21)22)10(17-12(14)15)18-7-16-8-5-3-4-6-9(8)18/h3-7H,1-2H3,(H4,14,15,19,20)/p+1