3-butyl-6-[(4-cyanophenyl)sulfonylcarbamoyl]-2-naphthalen-2-yl-5-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 3-butyl-6-[(4-cyanophenyl)sulfonylcarbamoyl]-2-naphthalen-2-yl-5-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 3-butyl-6-[(4-cyanophenyl)sulfonylcarbamoyl]-2-(2-naphthyl)-5-oxo-pyridazine-4-carboxylic acid CAS Name: 3-butyl-6-[[(4-cyanophenyl)sulfonylamino]-oxomethyl]-2-(2-naphthalenyl)-5-oxo-4-pyridazinecarboxylic acid IUPAC Name: 3-butyl-6-[(4-cyanophenyl)sulfonylcarbamoyl]-2-naphthalen-2-yl-5-oxopyridazine-4-carboxylic acid Traditional Name: 3-butyl-6-[(4-cyanophenyl)sulfonylcarbamoyl]-5-keto-2-(2-naphthyl)pyridazine-4-carboxylic acid Formula: C27H22N4O6S MolecularWeight: 530.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(=NN1C2=CC3=CC=CC=C3C=C2)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)C(=NN1C2=CC3=CC=CC=C3C=C2)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C27H22N4O6S/c1-2-3-8-22-23(27(34)35)25(32)24(26(33)30-38(36,37)21-13-9-17(16-28)10-14-21)29-31(22)20-12-11-18-6-4-5-7-19(18)15-20/h4-7,9-15H,2-3,8H2,1H3,(H,30,33)(H,34,35)