3-cyano-2-oxidanylidene-6-(4-phenylphenyl)-1-(phenylsulfonyl)pyridine-4-carboxylic acid

Systemtic Name: 3-cyano-2-oxidanylidene-6-(4-phenylphenyl)-1-(phenylsulfonyl)pyridine-4-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-3-cyano-2-oxo-6-(4-phenylphenyl)pyridine-4-carboxylic acid CAS Name: 1-(benzenesulfonyl)-3-cyano-2-oxo-6-(4-phenylphenyl)-4-pyridinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-3-cyano-2-oxo-6-(4-phenylphenyl)pyridine-4-carboxylic acid Traditional Name: 1-besyl-3-cyano-2-keto-6-(4-phenylphenyl)isonicotinic acid Formula: C25H16N2O5S MolecularWeight: 456.46994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=O)N3S(=O)(=O)C4=CC=CC=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=O)N3S(=O)(=O)C4=CC=CC=C4)C#N)C(=O)O

InChI

InChI=1S/C25H16N2O5S/c26-16-22-21(25(29)30)15-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)27(24(22)28)33(31,32)20-9-5-2-6-10-20/h1-15H,(H,29,30)