5-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]sulfamoyl]-2-bromanyl-benzoic acid

Systemtic Name: 5-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]sulfamoyl]-2-bromanyl-benzoic acid Openeye Name: 2-bromo-5-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[[4-(difluoromethylthio)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[[4-(difluoromethylthio)phenyl]sulfamoyl]benzoic acid Formula: C14H10BrF2NO4S2 MolecularWeight: 438.264306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)SC(F)F

InChI

InChI=1S/C14H10BrF2NO4S2/c15-12-6-5-10(7-11(12)13(19)20)24(21,22)18-8-1-3-9(4-2-8)23-14(16)17/h1-7,14,18H,(H,19,20)