3-(azepan-1-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C26H25N3O3S/c30-26(28-24-12-7-9-21(19-24)14-15-23-11-3-4-16-27-23)22-10-8-13-25(20-22)33(31,32)29-17-5-1-2-6-18-29/h3-4,7-13,16,19-20H,1-2,5-6,17-18H2,(H,28,30)