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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=C(C=C(C(=C1)C)C(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CCC(C)S(=O)(=O)C1=C(C=C(C(=C1)C)C(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c1-4-8(3)23(21,22)11-5-7(2)9(6-10(11)17(19)20)12(18)16-13(14)15/h5-6,8H,4H2,1-3H3,(H4,14,15,16,18)