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

Systemtic Name: N,N-diethyl-4-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C22H25N5O5S MolecularWeight: 471.5294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C22H25N5O5S/c1-4-16-7-11-18(12-8-16)32-22-20(27(28)29)21(23-15-24-22)25-17-9-13-19(14-10-17)33(30,31)26(5-2)6-3/h7-15H,4-6H2,1-3H3,(H,23,24,25)