2-bromanyl-5-[[[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[[[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbonylamino]sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[[[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]sulfamoyl]benzoic acid Formula: C21H18BrN3O8S2 MolecularWeight: 584.41692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H18BrN3O8S2/c1-33-15-7-5-14(6-8-15)24-34(29,30)16-4-2-3-13(11-16)20(26)23-25-35(31,32)17-9-10-19(22)18(12-17)21(27)28/h2-12,24-25H,1H3,(H,23,26)(H,27,28)