sodium 4-cyano-4-[[2-isocyano-5-[(4-oxidanidylperoxysulfanylphenyl)amino]-5-oxidanylidene-pentan-2-yl]diazenyl]-N-(2-methylheptadecyl)pentanamide

Systemtic Name: sodium 4-cyano-4-[[2-isocyano-5-[(4-oxidanidylperoxysulfanylphenyl)amino]-5-oxidanylidene-pentan-2-yl]diazenyl]-N-(2-methylheptadecyl)pentanamide Openeye Name: sodium 4-cyano-4-[1-isocyano-1-methyl-4-(4-oxidoperoxysulfanylanilino)-4-oxo-butyl]azo-N-(2-methylheptadecyl)pentanamide CAS Name: sodium 4-[[4-[2-cyano-5-(2-methylheptadecylamino)-5-oxopentan-2-yl]azo-4-isocyano-1-oxopentyl]amino]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium 4-cyano-4-[[2-isocyano-5-(4-oxidoperoxysulfanylanilino)-5-oxopentan-2-yl]diazenyl]-N-(2-methylheptadecyl)pentanamide Traditional Name: sodium 4-cyano-4-[1-isocyano-4-keto-1-methyl-4-[4-(oxidoperoxythio)anilino]butyl]azo-N-(2-methylheptadecyl)valeramide Formula: C36H57N6NaO5S MolecularWeight: 708.92975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)CNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NC1=CC=C(C=C1)SOO[O-])[N+]#[C-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)CNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NC1=CC=C(C=C1)SOO[O-])[N+]#[C-].[Na+]

InChI

InChI=1S/C36H58N6O5S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(2)28-39-33(43)24-26-35(3,29-37)41-42-36(4,38-5)27-25-34(44)40-31-20-22-32(23-21-31)48-47-46-45;/h20-23,30,45H,6-19,24-28H2,1-4H3,(H,39,43)(H,40,44);/q;+1/p-1