2,4-dimethoxy-1-[[3-oxidanylidene-2-[[4-(2-sulfosulfanylethylsulfamoyl)phenyl]diazenyl]butanoyl]amino]benzene

Systemtic Name: 2,4-dimethoxy-1-[[3-oxidanylidene-2-[[4-(2-sulfosulfanylethylsulfamoyl)phenyl]diazenyl]butanoyl]amino]benzene Openeye Name: 2,4-dimethoxy-1-[[3-oxo-2-[4-(2-sulfosulfanylethylsulfamoyl)phenyl]azo-butanoyl]amino]benzene CAS Name: 1-[[1,3-dioxo-2-[4-[2-(sulfothio)ethylsulfamoyl]phenyl]azobutyl]amino]-2,4-dimethoxybenzene IUPAC Name: 2,4-dimethoxy-1-[[3-oxo-2-[[4-(2-sulfosulfanylethylsulfamoyl)phenyl]diazenyl]butanoyl]amino]benzene Traditional Name: 1-[[3-keto-2-[4-[2-(sulfothio)ethylsulfamoyl]phenyl]azo-butanoyl]amino]-2,4-dimethoxy-benzene Formula: C20H24N4O9S3 MolecularWeight: 560.62096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=C(C=C(C=C1)OC)OC)N=NC2=CC=C(C=C2)S(=O)(=O)NCCSS(=O)(=O)O

Isomeric SMILES

CC(=O)C(C(=O)NC1=C(C=C(C=C1)OC)OC)N=NC2=CC=C(C=C2)S(=O)(=O)NCCSS(=O)(=O)O

InChI

InChI=1S/C20H24N4O9S3/c1-13(25)19(20(26)22-17-9-6-15(32-2)12-18(17)33-3)24-23-14-4-7-16(8-5-14)35(27,28)21-10-11-34-36(29,30)31/h4-9,12,19,21H,10-11H2,1-3H3,(H,22,26)(H,29,30,31)