N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(6-isobutoxypyridazin-3-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[6-(2-methylpropoxy)-3-pyridazinyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(6-isobutoxypyridazin-3-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-14(2)13-29-20-11-10-19(21-22-20)15-6-8-16(9-7-15)23-30(27,28)18-5-3-4-17(12-18)24(25)26/h3-12,14,23H,13H2,1-2H3