3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O3S/c27-24-14-12-21(19-25(24)34(32,33)30-16-5-1-2-6-17-30)26(31)29-23-10-7-8-20(18-23)11-13-22-9-3-4-15-28-22/h3-4,7-10,12,14-15,18-19H,1-2,5-6,16-17H2,(H,29,31)