N,N-diethyl-4-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(2-ethylanilino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC

InChI

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