[4-(3-oxidanylidenebutyl)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O8S2/c1-13(21)4-5-14-6-8-15(9-7-14)28-30(26,27)18-11-10-16(12-17(18)20(22)23)29(24,25)19(2)3/h6-12H,4-5H2,1-3H3