ethyl 3-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[4-(diethylsulfamoyl)anilino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)OCC)[N+](=O)[O-]

InChI

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