4-methyl-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3,5-dinitro-benzenesulfonamide Openeye Name: 4-methyl-N-[2-(6-morpholinopyrimidin-4-yl)oxyethyl]-3,5-dinitro-benzenesulfonamide CAS Name: 4-methyl-N-[2-[[6-(4-morpholinyl)-4-pyrimidinyl]oxy]ethyl]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[2-(6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3,5-dinitrobenzenesulfonamide Traditional Name: 4-methyl-N-[2-(6-morpholinopyrimidin-4-yl)oxyethyl]-3,5-dinitro-benzenesulfonamide Formula: C17H20N6O8S MolecularWeight: 468.4411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O8S/c1-12-14(22(24)25)8-13(9-15(12)23(26)27)32(28,29)20-2-5-31-17-10-16(18-11-19-17)21-3-6-30-7-4-21/h8-11,20H,2-7H2,1H3