2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-morpholino-ethanone Formula: C17H25N3O4S2 MolecularWeight: 399.5281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCOCC3

InChI

InChI=1S/C17H25N3O4S2/c21-17(19-9-11-24-12-10-19)14-25-16-6-5-15(13-18-16)26(22,23)20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12,14H2