4-[[6-butyl-1-(3-cyanophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylsulfamoyl]benzoic acid

Systemtic Name: 4-[[6-butyl-1-(3-cyanophenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylsulfamoyl]benzoic acid Openeye Name: 4-[[6-butyl-1-(3-cyanophenyl)-4-oxo-pyridazine-3-carbonyl]sulfamoyl]benzoic acid CAS Name: 4-[[[6-butyl-1-(3-cyanophenyl)-4-oxo-3-pyridazinyl]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[6-butyl-1-(3-cyanophenyl)-4-oxopyridazine-3-carbonyl]sulfamoyl]benzoic acid Traditional Name: 4-[[6-butyl-1-(3-cyanophenyl)-4-keto-pyridazine-3-carbonyl]sulfamoyl]benzoic acid Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)C(=NN1C2=CC=CC(=C2)C#N)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)C(=NN1C2=CC=CC(=C2)C#N)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H20N4O6S/c1-2-3-6-18-13-20(28)21(25-27(18)17-7-4-5-15(12-17)14-24)22(29)26-34(32,33)19-10-8-16(9-11-19)23(30)31/h4-5,7-13H,2-3,6H2,1H3,(H,26,29)(H,30,31)