2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(p-tolylsulfonyl)ethylsulfanyl]-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[2-(4-methylphenyl)sulfonylethylthio]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: N-(3-pyridylmethyl)-2-(2-tosylethylthio)nicotinamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-16-6-8-18(9-7-16)29(26,27)13-12-28-21-19(5-3-11-23-21)20(25)24-15-17-4-2-10-22-14-17/h2-11,14H,12-13,15H2,1H3,(H,24,25)