sodium 4-cyano-4-[[2-isocyano-5-(2-oxidanidylperoxysulfanylethylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-N-propyl-pentanamide

Systemtic Name: sodium 4-cyano-4-[[2-isocyano-5-(2-oxidanidylperoxysulfanylethylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-N-propyl-pentanamide Openeye Name: sodium 4-cyano-4-[1-isocyano-1-methyl-4-(2-oxidoperoxysulfanylethylamino)-4-oxo-butyl]azo-N-propyl-pentanamide CAS Name: sodium 2-[[4-[2-cyano-5-oxo-5-(propylamino)pentan-2-yl]azo-4-isocyano-1-oxopentyl]amino]ethanesulfenic acid oxidooxy ester IUPAC Name: sodium 4-cyano-4-[[2-isocyano-5-(2-oxidoperoxysulfanylethylamino)-5-oxopentan-2-yl]diazenyl]-N-propylpentanamide Traditional Name: sodium 4-cyano-4-[1-isocyano-4-keto-1-methyl-4-[2-(oxidoperoxythio)ethylamino]butyl]azo-N-propyl-valeramide Formula: C17H27N6NaO5S MolecularWeight: 450.48825

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NCCSOO[O-])[N+]#[C-].[Na+]

Isomeric SMILES

CCCNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)NCCSOO[O-])[N+]#[C-].[Na+]

InChI

InChI=1S/C17H28N6O5S.Na/c1-5-10-20-14(24)6-8-16(2,13-18)22-23-17(3,19-4)9-7-15(25)21-11-12-29-28-27-26;/h26H,5-12H2,1-3H3,(H,20,24)(H,21,25);/q;+1/p-1