4-[(2-pyridin-4-yl-1-benzofuran-5-yl)sulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[(2-pyridin-4-yl-1-benzofuran-5-yl)sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[[2-(4-pyridyl)benzofuran-5-yl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[(2-pyridin-4-yl-5-benzofuranyl)sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 4-[(2-pyridin-4-yl-1-benzofuran-5-yl)sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[2-(4-pyridyl)benzofuran-5-yl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C20H19NO6S MolecularWeight: 401.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CS(=O)(=O)C2=CC3=C(C=C2)OC(=C3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1COCCC1(CS(=O)(=O)C2=CC3=C(C=C2)OC(=C3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H19NO6S/c22-19(23)20(5-9-26-10-6-20)13-28(24,25)16-1-2-17-15(11-16)12-18(27-17)14-3-7-21-8-4-14/h1-4,7-8,11-12H,5-6,9-10,13H2,(H,22,23)