(2-sulfamoyl-1,3-benzothiazol-6-yl) 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate

Systemtic Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate Openeye Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2,3,4,5,6-pentafluorobenzenesulfonate CAS Name: 2,3,4,5,6-pentafluorobenzenesulfonic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2,3,4,5,6-pentafluorobenzenesulfonate Traditional Name: 2,3,4,5,6-pentafluorobenzenesulfonic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester Formula: C13H5F5N2O5S3 MolecularWeight: 460.376216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OS(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)SC(=N2)S(=O)(=O)N

Isomeric SMILES

C1=CC2=C(C=C1OS(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)SC(=N2)S(=O)(=O)N

InChI

InChI=1S/C13H5F5N2O5S3/c14-7-8(15)10(17)12(11(18)9(7)16)28(23,24)25-4-1-2-5-6(3-4)26-13(20-5)27(19,21)22/h1-3H,(H2,19,21,22)