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

Systemtic Name: sodium 4-cyano-4-[[2-isocyano-5-[(4-oxidanidylperoxysulfanylphenyl)amino]-5-oxidanylidene-pentan-2-yl]diazenyl]-N-propyl-pentanamide Openeye Name: sodium 4-cyano-4-[1-isocyano-1-methyl-4-(4-oxidoperoxysulfanylanilino)-4-oxo-butyl]azo-N-propyl-pentanamide CAS Name: sodium 4-[[4-[2-cyano-5-oxo-5-(propylamino)pentan-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-propylpentanamide Traditional Name: sodium 4-cyano-4-[1-isocyano-4-keto-1-methyl-4-[4-(oxidoperoxythio)anilino]butyl]azo-N-propyl-valeramide Formula: C21H27N6NaO5S MolecularWeight: 498.53105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O5S.Na/c1-5-14-24-18(28)10-12-20(2,15-22)26-27-21(3,23-4)13-11-19(29)25-16-6-8-17(9-7-16)33-32-31-30;/h6-9,30H,5,10-14H2,1-3H3,(H,24,28)(H,25,29);/q;+1/p-1