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

Systemtic Name: sodium 4-cyano-N-decyl-4-[[2-isocyano-5-(2-oxidanidylperoxysulfanylethylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]pentanamide Openeye Name: sodium 4-cyano-N-decyl-4-[1-isocyano-1-methyl-4-(2-oxidoperoxysulfanylethylamino)-4-oxo-butyl]azo-pentanamide CAS Name: sodium 2-[[4-[2-cyano-5-(decylamino)-5-oxopentan-2-yl]azo-4-isocyano-1-oxopentyl]amino]ethanesulfenic acid oxidooxy ester IUPAC Name: sodium 4-cyano-N-decyl-4-[[2-isocyano-5-(2-oxidoperoxysulfanylethylamino)-5-oxopentan-2-yl]diazenyl]pentanamide Traditional Name: sodium 4-cyano-N-decyl-4-[1-isocyano-4-keto-1-methyl-4-[2-(oxidoperoxythio)ethylamino]butyl]azo-valeramide Formula: C24H41N6NaO5S MolecularWeight: 548.67431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N6O5S.Na/c1-5-6-7-8-9-10-11-12-17-27-21(31)13-15-23(2,20-25)29-30-24(3,26-4)16-14-22(32)28-18-19-36-35-34-33;/h33H,5-19H2,1-3H3,(H,27,31)(H,28,32);/q;+1/p-1