methyl 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-(diethylsulfamoyl)-2,3-dimethylanilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-6-23(7-2)32(29,30)18-8-13(3)14(4)19(12-18)22-20(25)15-9-16(21(26)31-5)11-17(10-15)24(27)28/h8-12H,6-7H2,1-5H3,(H,22,25)