N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-(pyridin-3-ylsulfonylamino)propanamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-(pyridin-3-ylsulfonylamino)propanamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3-(3-pyridylsulfonylamino)propanamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-(3-pyridinylsulfonylamino)propanamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-(pyridin-3-ylsulfonylamino)propanamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3-(3-pyridylsulfonylamino)propionamide Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCNS(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCNS(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H18N4O3S/c26-21(11-14-24-29(27,28)20-8-4-12-22-16-20)25-19-7-3-5-17(15-19)9-10-18-6-1-2-13-23-18/h1-8,12-13,15-16,24H,11,14H2,(H,25,26)