[4-(diethylsulfamoyl)-2-nitro-phenyl] 3-chloranyl-2-fluoranyl-benzenesulfonate

Systemtic Name: [4-(diethylsulfamoyl)-2-nitro-phenyl] 3-chloranyl-2-fluoranyl-benzenesulfonate Openeye Name: [4-(diethylsulfamoyl)-2-nitro-phenyl] 3-chloro-2-fluoro-benzenesulfonate CAS Name: 3-chloro-2-fluorobenzenesulfonic acid [4-(diethylsulfamoyl)-2-nitrophenyl] ester IUPAC Name: [4-(diethylsulfamoyl)-2-nitrophenyl] 3-chloro-2-fluorobenzenesulfonate Traditional Name: 3-chloro-2-fluoro-benzenesulfonic acid [4-(diethylsulfamoyl)-2-nitro-phenyl] ester Formula: C16H16ClFN2O7S2 MolecularWeight: 466.888843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClFN2O7S2/c1-3-19(4-2)28(23,24)11-8-9-14(13(10-11)20(21)22)27-29(25,26)15-7-5-6-12(17)16(15)18/h5-10H,3-4H2,1-2H3