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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=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)15-8-6-7-9-17(15)27-29(25,26)18-11-10-14(12-16(18)20(21)22)28(23,24)19(3)4/h6-13H,5H2,1-4H3