ethyl 4-[2-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)ethylsulfamoyl]benzoate

Systemtic Name: ethyl 4-[2-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)ethylsulfamoyl]benzoate Openeye Name: ethyl 4-[2-[6-oxo-3-(3-pyridyl)pyridazin-1-yl]ethylsulfamoyl]benzoate CAS Name: 4-[2-[6-oxo-3-(3-pyridinyl)-1-pyridazinyl]ethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethylsulfamoyl]benzoate Traditional Name: 4-[2-[6-keto-3-(3-pyridyl)pyridazin-1-yl]ethylsulfamoyl]benzoic acid ethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCN2C(=O)C=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCN2C(=O)C=CC(=N2)C3=CN=CC=C3

InChI

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