(4-butan-2-ylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (4-butan-2-ylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (4-sec-butylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (4-sec-butylphenyl) ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)C1=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/C18H22N2O7S2/c1-5-13(2)14-6-8-15(9-7-14)27-29(25,26)18-11-10-16(12-17(18)20(21)22)28(23,24)19(3)4/h6-13H,5H2,1-4H3