ethyl 3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(diethylsulfamoyl)-4-methylanilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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