methyl 4-[[[4-(diethylsulfamoyl)-2-nitro-phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(diethylsulfamoyl)-2-nitro-phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[4-(diethylsulfamoyl)-2-nitro-anilino]methyl]benzoate CAS Name: 4-[[4-(diethylsulfamoyl)-2-nitroanilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(diethylsulfamoyl)-2-nitroanilino]methyl]benzoate Traditional Name: 4-[[4-(diethylsulfamoyl)-2-nitro-anilino]methyl]benzoic acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-4-21(5-2)29(26,27)16-10-11-17(18(12-16)22(24)25)20-13-14-6-8-15(9-7-14)19(23)28-3/h6-12,20H,4-5,13H2,1-3H3