N-[bis(azanyl)methylidene]-4-butylsulfonyl-2-methyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-butylsulfonyl-2-methyl-5-nitro-benzamide Openeye Name: 4-butylsulfonyl-N-(diaminomethylene)-2-methyl-5-nitro-benzamide CAS Name: 4-butylsulfonyl-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide IUPAC Name: 4-butylsulfonyl-N-(diaminomethylidene)-2-methyl-5-nitrobenzamide Traditional Name: 4-butylsulfonyl-N-(diaminomethylene)-2-methyl-5-nitro-benzamide Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=C(C(=C1)C)C(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=C(C(=C1)C)C(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c1-3-4-5-23(21,22)11-6-8(2)9(7-10(11)17(19)20)12(18)16-13(14)15/h6-7H,3-5H2,1-2H3,(H4,14,15,16,18)