4-[[5-ethenylsulfonyl-2-(trioxidanylsulfanyl)phenyl]diazenyl]-N-ethyl-N-(2-isocyanoethyl)-3-methyl-aniline

Systemtic Name: 4-[[5-ethenylsulfonyl-2-(trioxidanylsulfanyl)phenyl]diazenyl]-N-ethyl-N-(2-isocyanoethyl)-3-methyl-aniline Openeye Name: N-ethyl-N-(2-isocyanoethyl)-3-methyl-4-[2-(trioxidanylsulfanyl)-5-vinylsulfonyl-phenyl]azo-aniline CAS Name: 4-ethenylsulfonyl-2-[4-[ethyl(2-isocyanoethyl)amino]-2-methylphenyl]azobenzenesulfenic acid hydroperoxy ester IUPAC Name: 4-[[5-ethenylsulfonyl-2-(trioxidanylsulfanyl)phenyl]diazenyl]-N-ethyl-N-(2-isocyanoethyl)-3-methylaniline Traditional Name: ethyl-(2-isocyanoethyl)-[3-methyl-4-[2-(trioxidanylthio)-5-vinylsulfonyl-phenyl]azo-phenyl]amine Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+]#[C-])C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)C=C)SOOO)C

Isomeric SMILES

CCN(CC[N+]#[C-])C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)C=C)SOOO)C

InChI

InChI=1S/C20H22N4O5S2/c1-5-24(12-11-21-4)16-7-9-18(15(3)13-16)22-23-19-14-17(31(26,27)6-2)8-10-20(19)30-29-28-25/h6-10,13-14,25H,2,5,11-12H2,1,3H3