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

Systemtic Name: sodium 4-cyano-4-[[2-isocyano-5-[(4-oxidanidylperoxysulfanylphenyl)amino]-5-oxidanylidene-pentan-2-yl]diazenyl]-N-(2-methylundecyl)pentanamide Openeye Name: sodium 4-cyano-4-[1-isocyano-1-methyl-4-(4-oxidoperoxysulfanylanilino)-4-oxo-butyl]azo-N-(2-methylundecyl)pentanamide CAS Name: sodium 4-[[4-[2-cyano-5-(2-methylundecylamino)-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-methylundecyl)pentanamide Traditional Name: sodium 4-cyano-4-[1-isocyano-4-keto-1-methyl-4-[4-(oxidoperoxythio)anilino]butyl]azo-N-(2-methylundecyl)valeramide Formula: C30H45N6NaO5S MolecularWeight: 624.77027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCC(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/C30H46N6O5S.Na/c1-6-7-8-9-10-11-12-13-24(2)22-33-27(37)18-20-29(3,23-31)35-36-30(4,32-5)21-19-28(38)34-25-14-16-26(17-15-25)42-41-40-39;/h14-17,24,39H,6-13,18-22H2,1-4H3,(H,33,37)(H,34,38);/q;+1/p-1