(3-fluorophenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (3-fluorophenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (3-fluorophenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (3-fluorophenyl) ester Formula: C14H13FN2O7S2 MolecularWeight: 404.390623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13FN2O7S2/c1-16(2)25(20,21)12-6-7-14(13(9-12)17(18)19)26(22,23)24-11-5-3-4-10(15)8-11/h3-9H,1-2H3