2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(4-hydroxy-1-piperidyl)-4-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(4-hydroxy-1-piperidinyl)-4-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-(4-hydroxypiperidin-1-yl)pyridin-4-yl]pyridine-3-carboxamide Traditional Name: 2-(2,4-dimethoxybenzyl)sulfinyl-N-[2-(4-hydroxypiperidino)-4-pyridyl]nicotinamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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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)N4CCC(CC4)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC(=NC=C3)N4CCC(CC4)O)OC

InChI

InChI=1S/C25H28N4O5S/c1-33-20-6-5-17(22(15-20)34-2)16-35(32)25-21(4-3-10-27-25)24(31)28-18-7-11-26-23(14-18)29-12-8-19(30)9-13-29/h3-7,10-11,14-15,19,30H,8-9,12-13,16H2,1-2H3,(H,26,28,31)