(5-methyl-2-propan-2-yl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

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