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

Systemtic Name: N-[bis(azanyl)methylidene]-4-butylsulfonyl-2-ethyl-5-nitro-benzamide Openeye Name: 4-butylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide CAS Name: 4-butylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide IUPAC Name: 4-butylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide Traditional Name: 4-butylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide Formula: C14H20N4O5S MolecularWeight: 356.3974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O5S/c1-3-5-6-24(22,23)12-7-9(4-2)10(8-11(12)18(20)21)13(19)17-14(15)16/h7-8H,3-6H2,1-2H3,(H4,15,16,17,19)