ethyl 4-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H26N6O6S MolecularWeight: 514.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H26N6O6S/c1-4-28(5-2)36(33,34)19-13-11-18(12-14-19)27-22-20(29(31)32)21(24-15-25-22)26-17-9-7-16(8-10-17)23(30)35-6-3/h7-15H,4-6H2,1-3H3,(H2,24,25,26,27)