4-(benzimidazol-1-yl)-N-[bis(azanyl)methylidene]-5-methylsulfonyl-2-nitro-benzamide

Systemtic Name: 4-(benzimidazol-1-yl)-N-[bis(azanyl)methylidene]-5-methylsulfonyl-2-nitro-benzamide Openeye Name: 4-(benzimidazol-1-yl)-N-(diaminomethylene)-5-methylsulfonyl-2-nitro-benzamide CAS Name: 4-(1-benzimidazolyl)-N-(diaminomethylidene)-5-methylsulfonyl-2-nitrobenzamide IUPAC Name: 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-5-methylsulfonyl-2-nitrobenzamide Traditional Name: 4-(benzimidazol-1-yl)-N-(diaminomethylene)-5-mesyl-2-nitro-benzamide Formula: C16H14N6O5S MolecularWeight: 402.38456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)[N+](=O)[O-])N2C=NC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)[N+](=O)[O-])N2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H14N6O5S/c1-28(26,27)14-6-9(15(23)20-16(17)18)12(22(24)25)7-13(14)21-8-19-10-4-2-3-5-11(10)21/h2-8H,1H3,(H4,17,18,20,23)