(2S)-N-(2,4-dimethoxyphenyl)-3-oxidanylidene-2-[[4-(2-oxidanylsulfonothioyloxyethylsulfamoyl)phenyl]diazenyl]butanamide

Systemtic Name: (2S)-N-(2,4-dimethoxyphenyl)-3-oxidanylidene-2-[[4-(2-oxidanylsulfonothioyloxyethylsulfamoyl)phenyl]diazenyl]butanamide Openeye Name: (2S)-N-(2,4-dimethoxyphenyl)-2-[4-(2-hydroxysulfonothioyloxyethylsulfamoyl)phenyl]azo-3-oxo-butanamide CAS Name: (2S)-N-(2,4-dimethoxyphenyl)-2-[4-(2-hydroxysulfonothioyloxyethylsulfamoyl)phenyl]azo-3-oxobutanamide IUPAC Name: (2S)-N-(2,4-dimethoxyphenyl)-2-[[4-(2-hydroxysulfonothioyloxyethylsulfamoyl)phenyl]diazenyl]-3-oxobutanamide Traditional Name: (2S)-N-(2,4-dimethoxyphenyl)-2-[4-(2-hydroxysulfonothioyloxyethylsulfamoyl)phenyl]azo-3-keto-butyramide 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)NCCOS(=O)(=S)O

Isomeric SMILES

CC(=O)[C@@H](C(=O)NC1=C(C=C(C=C1)OC)OC)N=NC2=CC=C(C=C2)S(=O)(=O)NCCOS(=O)(=S)O

InChI

InChI=1S/C20H24N4O9S3/c1-13(25)19(20(26)22-17-9-6-15(31-2)12-18(17)32-3)24-23-14-4-7-16(8-5-14)35(27,28)21-10-11-33-36(29,30)34/h4-9,12,19,21H,10-11H2,1-3H3,(H,22,26)(H,29,30,34)/t19-/m0/s1