[4-(diethylsulfamoyl)-2-nitro-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(diethylsulfamoyl)-2-nitro-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(diethylsulfamoyl)-2-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(diethylsulfamoyl)-2-nitrophenyl] ester IUPAC Name: [4-(diethylsulfamoyl)-2-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(diethylsulfamoyl)-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)OS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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