2-methyl-5-nitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-(6-propoxy-3-pyridazinyl)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c1-3-11-29-20-10-9-18(21-22-20)15-5-4-6-16(12-15)23-30(27,28)19-13-17(24(25)26)8-7-14(19)2/h4-10,12-13,23H,3,11H2,1-2H3