ethyl 4-[3-(6-oxidanylidene-3-pyridin-4-yl-pyridazin-1-yl)propylsulfamoyl]benzoate

Systemtic Name: ethyl 4-[3-(6-oxidanylidene-3-pyridin-4-yl-pyridazin-1-yl)propylsulfamoyl]benzoate Openeye Name: ethyl 4-[3-[6-oxo-3-(4-pyridyl)pyridazin-1-yl]propylsulfamoyl]benzoate CAS Name: 4-[3-(6-oxo-3-pyridin-4-yl-1-pyridazinyl)propylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propylsulfamoyl]benzoate Traditional Name: 4-[3-[6-keto-3-(4-pyridyl)pyridazin-1-yl]propylsulfamoyl]benzoic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=O)C=CC(=N2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCN2C(=O)C=CC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C21H22N4O5S/c1-2-30-21(27)17-4-6-18(7-5-17)31(28,29)23-12-3-15-25-20(26)9-8-19(24-25)16-10-13-22-14-11-16/h4-11,13-14,23H,2-3,12,15H2,1H3