2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-1-morpholino-ethanone CAS Name: 2-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-1-morpholino-ethanone Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)CC(=O)N4CCOCC4

InChI

InChI=1S/C21H27N3O4S2/c25-21(23-11-13-28-14-12-23)15-20-22-19(16-29-20)17-5-7-18(8-6-17)30(26,27)24-9-3-1-2-4-10-24/h5-8,16H,1-4,9-15H2