5-bromanyl-2-ethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Openeye Name: 5-bromo-2-ethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide CAS Name: 5-bromo-2-ethoxy-N-[4-(6-propoxy-3-pyridazinyl)phenyl]benzenesulfonamide IUPAC Name: 5-bromo-2-ethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Traditional Name: 5-bromo-2-ethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Br)OCC

Isomeric SMILES

CCCOC1=NN=C(C=C1)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Br)OCC

InChI

InChI=1S/C21H22BrN3O4S/c1-3-13-29-21-12-10-18(23-24-21)15-5-8-17(9-6-15)25-30(26,27)20-14-16(22)7-11-19(20)28-4-2/h5-12,14,25H,3-4,13H2,1-2H3