N-(3,5-dimethylphenyl)-2-[[3-(methylsulfonylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[3-(methylsulfonylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[3-(methanesulfonamido)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[3-(methanesulfonamido)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[3-(methanesulfonamido)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[3-(methanesulfonamido)-4-pyridyl]methylthio]nicotinamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(C=NC=C3)NS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(C=NC=C3)NS(=O)(=O)C)C

InChI

InChI=1S/C21H22N4O3S2/c1-14-9-15(2)11-17(10-14)24-20(26)18-5-4-7-23-21(18)29-13-16-6-8-22-12-19(16)25-30(3,27)28/h4-12,25H,13H2,1-3H3,(H,24,26)