N-(oxan-4-ylmethyl)-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(oxan-4-ylmethyl)-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(tetrahydropyran-4-ylmethyl)pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-(4-oxanylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(tetrahydropyran-4-ylmethyl)nicotinamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCCC1CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c23-19(22-15-16-8-11-26-12-9-16)18-7-4-10-21-20(18)27-13-14-28(24,25)17-5-2-1-3-6-17/h1-7,10,16H,8-9,11-15H2,(H,22,23)