N-[(4-methoxyphenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(4-methoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-p-anisyl-nicotinamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

InChI

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