(4-methyl-2-nitro-phenyl) 4-(diethylsulfamoyl)benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-(diethylsulfamoyl)benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-(diethylsulfamoyl)benzenesulfonate CAS Name: 4-(diethylsulfamoyl)benzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-(diethylsulfamoyl)benzenesulfonate Traditional Name: 4-(diethylsulfamoyl)benzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O7S2/c1-4-18(5-2)27(22,23)14-7-9-15(10-8-14)28(24,25)26-17-11-6-13(3)12-16(17)19(20)21/h6-12H,4-5H2,1-3H3