3-[4-oxidanylidene-3-phenyl-5-[3-(phenylsulfonyl)phenyl]pyridin-1-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-3-phenyl-5-[3-(phenylsulfonyl)phenyl]pyridin-1-yl]propanoic acid Openeye Name: 3-[3-[3-(benzenesulfonyl)phenyl]-4-oxo-5-phenyl-1-pyridyl]propanoic acid CAS Name: 3-[3-[3-(benzenesulfonyl)phenyl]-4-oxo-5-phenyl-1-pyridinyl]propanoic acid IUPAC Name: 3-[3-[3-(benzenesulfonyl)phenyl]-4-oxo-5-phenylpyridin-1-yl]propanoic acid Traditional Name: 3-[3-(3-besylphenyl)-4-keto-5-phenyl-1-pyridyl]propionic acid Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C26H21NO5S/c28-25(29)14-15-27-17-23(19-8-3-1-4-9-19)26(30)24(18-27)20-10-7-13-22(16-20)33(31,32)21-11-5-2-6-12-21/h1-13,16-18H,14-15H2,(H,28,29)