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

Systemtic Name: methyl 3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(diethylsulfamoyl)-4-methylanilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-5-22(6-2)31(28,29)18-12-16(8-7-13(18)3)21-19(24)14-9-15(20(25)30-4)11-17(10-14)23(26)27/h7-12H,5-6H2,1-4H3,(H,21,24)