N-[(2-methoxyphenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(2-methoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-o-anisyl-nicotinamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S2/c1-28-20-12-6-5-8-17(20)16-24-21(25)19-11-7-13-23-22(19)29-14-15-30(26,27)18-9-3-2-4-10-18/h2-13H,14-16H2,1H3,(H,24,25)