N,N-diethyl-4-[[6-[ethyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-[ethyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(N-ethylanilino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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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(CC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O4S/c1-4-26(5-2)33(31,32)19-14-12-17(13-15-19)25-21-20(28(29)30)22(24-16-23-21)27(6-3)18-10-8-7-9-11-18/h7-16H,4-6H2,1-3H3,(H,23,24,25)