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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-nitro-4-pentylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-nitro-4-pentylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-pentylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-nitro-4-pentylsulfonylbenzamide Traditional Name: 4-amylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide Formula: C15H22N4O5S MolecularWeight: 370.42398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O5S/c1-3-5-6-7-25(23,24)13-8-10(4-2)11(9-12(13)19(21)22)14(20)18-15(16)17/h8-9H,3-7H2,1-2H3,(H4,16,17,18,20)