N,N-diethyl-4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(1-phenylethylamino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(1-phenylethylamino)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)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O4S/c1-4-27(5-2)33(31,32)19-13-11-18(12-14-19)26-22-20(28(29)30)21(23-15-24-22)25-16(3)17-9-7-6-8-10-17/h6-16H,4-5H2,1-3H3,(H2,23,24,25,26)