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

Systemtic Name: 4-methyl-3,5-dinitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Openeye Name: 4-methyl-3,5-dinitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide CAS Name: 4-methyl-3,5-dinitro-N-[3-(6-propoxy-3-pyridazinyl)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-3,5-dinitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Traditional Name: 4-methyl-3,5-dinitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Formula: C20H19N5O7S MolecularWeight: 473.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7S/c1-3-9-32-20-8-7-17(21-22-20)14-5-4-6-15(10-14)23-33(30,31)16-11-18(24(26)27)13(2)19(12-16)25(28)29/h4-8,10-12,23H,3,9H2,1-2H3