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

Systemtic Name: N-[(3-methylphenyl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(m-tolylmethyl)pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(3-methylphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-(3-methylbenzyl)nicotinamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S2/c1-17-7-5-8-18(15-17)16-24-21(25)20-11-6-12-23-22(20)28-13-14-29(26,27)19-9-3-2-4-10-19/h2-12,15H,13-14,16H2,1H3,(H,24,25)