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

Systemtic Name: methyl 4-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H24N6O6S MolecularWeight: 500.52756

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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)OC

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)OC

InChI

InChI=1S/C22H24N6O6S/c1-4-27(5-2)35(32,33)18-12-10-17(11-13-18)26-21-19(28(30)31)20(23-14-24-21)25-16-8-6-15(7-9-16)22(29)34-3/h6-14H,4-5H2,1-3H3,(H2,23,24,25,26)