3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(4-acetylphenyl)-3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]propionamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O4S2/c1-17(26)18-6-8-19(9-7-18)24-21(27)12-15-30-22-11-10-20(16-23-22)31(28,29)25-13-4-2-3-5-14-25/h6-11,16H,2-5,12-15H2,1H3,(H,24,27)