3-[3-(dimethylazaniumyl)propylsulfamoyl]-2,6-bis(fluoranyl)benzoate

Systemtic Name: 3-[3-(dimethylazaniumyl)propylsulfamoyl]-2,6-bis(fluoranyl)benzoate Openeye Name: 3-[3-(dimethylammonio)propylsulfamoyl]-2,6-difluoro-benzoate CAS Name: 3-[3-(dimethylammonio)propylsulfamoyl]-2,6-difluorobenzoate IUPAC Name: 3-[3-(dimethylazaniumyl)propylsulfamoyl]-2,6-difluorobenzoate Traditional Name: 3-[3-(dimethylammonio)propylsulfamoyl]-2,6-difluoro-benzoate Formula: C12H16F2N2O4S MolecularWeight: 322.328246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)[O-])F

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)[O-])F

InChI

InChI=1S/C12H16F2N2O4S/c1-16(2)7-3-6-15-21(19,20)9-5-4-8(13)10(11(9)14)12(17)18/h4-5,15H,3,6-7H2,1-2H3,(H,17,18)