4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitro-benzenesulfonamide Openeye Name: 4-methyl-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3,5-dinitro-benzenesulfonamide CAS Name: 4-methyl-N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-dinitrobenzenesulfonamide Traditional Name: 4-methyl-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-3,5-dinitro-benzenesulfonamide Formula: C21H20N6O7S MolecularWeight: 500.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O7S/c1-14-19(26(28)29)12-17(13-20(14)27(30)31)35(32,33)24-16-4-2-3-15(11-16)18-5-6-21(23-22-18)25-7-9-34-10-8-25/h2-6,11-13,24H,7-10H2,1H3