2-[[[5-(dimethylsulfamoyl)-2-fluoranyl-phenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[5-(dimethylsulfamoyl)-2-fluoranyl-phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[5-(dimethylsulfamoyl)-2-fluoro-benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[5-(dimethylsulfamoyl)-2-fluorophenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[5-(dimethylsulfamoyl)-2-fluorobenzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[5-(dimethylsulfamoyl)-2-fluoro-benzoyl]amino]methyl]-4-nitro-phenolate Formula: C16H15FN3O6S- MolecularWeight: 396.370203

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16FN3O6S/c1-19(2)27(25,26)12-4-5-14(17)13(8-12)16(22)18-9-10-7-11(20(23)24)3-6-15(10)21/h3-8,21H,9H2,1-2H3,(H,18,22)/p-1