(4-chloranyl-3-ethyl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (4-chloro-3-ethyl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (4-chloro-3-ethyl-phenyl) ester Formula: C16H17ClN2O7S2 MolecularWeight: 448.89838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN2O7S2/c1-4-11-9-12(5-7-14(11)17)26-28(24,25)16-8-6-13(10-15(16)19(20)21)27(22,23)18(2)3/h5-10H,4H2,1-3H3