4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[4-[4-morpholinyl(oxo)methyl]-2,6-dinitroanilino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[4-(morpholine-4-carbonyl)-2,6-dinitroanilino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C21H19N7O8S MolecularWeight: 529.48266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N7O8S/c29-20(26-8-10-36-11-9-26)14-12-17(27(30)31)19(18(13-14)28(32)33)24-15-2-4-16(5-3-15)37(34,35)25-21-22-6-1-7-23-21/h1-7,12-13,24H,8-11H2,(H,22,23,25)