N-[4-[(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(2-methyl-6-morpholin-4-yl-pyrimidin-4-yl)amino]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-[[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]amino]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-[(2-methyl-6-morpholino-pyrimidin-4-yl)amino]phenyl]-4-nitro-benzenesulfonamide Formula: C21H22N6O5S MolecularWeight: 470.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H22N6O5S/c1-15-22-20(14-21(23-15)26-10-12-32-13-11-26)24-16-2-4-17(5-3-16)25-33(30,31)19-8-6-18(7-9-19)27(28)29/h2-9,14,25H,10-13H2,1H3,(H,22,23,24)