methyl 2,4-bis(azanyl)-5-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate

Systemtic Name: methyl 2,4-bis(azanyl)-5-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate Openeye Name: methyl 2,4-diamino-5-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azo-benzenesulfonate CAS Name: 2,4-diamino-5-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azobenzenesulfonic acid methyl ester IUPAC Name: methyl 2,4-diamino-5-[[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate Traditional Name: 2,4-diamino-5-[4-(2-methoxysulfonyloxyethylsulfonyl)phenyl]azo-benzenesulfonic acid methyl ester Formula: C16H20N4O9S3 MolecularWeight: 508.5464

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=C(C=C(C(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)OC)N)N

Isomeric SMILES

COS(=O)(=O)C1=C(C=C(C(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)OC)N)N

InChI

InChI=1S/C16H20N4O9S3/c1-27-31(23,24)16-10-15(13(17)9-14(16)18)20-19-11-3-5-12(6-4-11)30(21,22)8-7-29-32(25,26)28-2/h3-6,9-10H,7-8,17-18H2,1-2H3