[4-[[sulfamoyl-(2-sulfamoyloxyphenyl)amino]methyl]phenyl] sulfamate

Systemtic Name: [4-[[sulfamoyl-(2-sulfamoyloxyphenyl)amino]methyl]phenyl] sulfamate Openeye Name: [4-[(N-sulfamoyl-2-sulfamoyloxy-anilino)methyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[(N-sulfamoyl-2-sulfamoyloxyanilino)methyl]phenyl] ester IUPAC Name: [4-[(N-sulfamoyl-2-sulfamoyloxyanilino)methyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(N-sulfamoyl-2-sulfamoyloxy-anilino)methyl]phenyl] ester Formula: C13H16N4O8S3 MolecularWeight: 452.48314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CC2=CC=C(C=C2)OS(=O)(=O)N)S(=O)(=O)N)OS(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)N(CC2=CC=C(C=C2)OS(=O)(=O)N)S(=O)(=O)N)OS(=O)(=O)N

InChI

InChI=1S/C13H16N4O8S3/c14-26(18,19)17(12-3-1-2-4-13(12)25-28(16,22)23)9-10-5-7-11(8-6-10)24-27(15,20)21/h1-8H,9H2,(H2,14,18,19)(H2,15,20,21)(H2,16,22,23)