methyl 2-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[4-(diethylsulfamoyl)anilino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl 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)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

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