6-(3,3-dimethylbut-1-ynyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide

Systemtic Name: 6-(3,3-dimethylbut-1-ynyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide Openeye Name: 6-(3,3-dimethylbut-1-ynyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide CAS Name: 6-(3,3-dimethylbut-1-ynyl)-N-(4-methylsulfonylphenyl)-3-pyridinecarboxamide IUPAC Name: 6-(3,3-dimethylbut-1-ynyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide Traditional Name: 6-(3,3-dimethylbut-1-ynyl)-N-(4-mesylphenyl)nicotinamide Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=NC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C#CC1=NC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H20N2O3S/c1-19(2,3)12-11-15-6-5-14(13-20-15)18(22)21-16-7-9-17(10-8-16)25(4,23)24/h5-10,13H,1-4H3,(H,21,22)