2-[[2-(2-hydroxyethyloxy)-4-methoxy-phenyl]methylsulfinyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[2-(2-hydroxyethyloxy)-4-methoxy-phenyl]methylsulfinyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[2-(2-hydroxyethoxy)-4-methoxy-phenyl]methylsulfinyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]methylsulfinyl]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[2-(2-hydroxyethoxy)-4-methoxyphenyl]methylsulfinyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[2-(2-hydroxyethoxy)-4-methoxy-benzyl]sulfinyl-N-(4-pyridyl)nicotinamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCCO

Isomeric SMILES

COC1=CC(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCCO

InChI

InChI=1S/C21H21N3O5S/c1-28-17-5-4-15(19(13-17)29-12-11-25)14-30(27)21-18(3-2-8-23-21)20(26)24-16-6-9-22-10-7-16/h2-10,13,25H,11-12,14H2,1H3,(H,22,24,26)