2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)acetamide Formula: C21H22ClFN2O6S MolecularWeight: 484.925583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C21H22ClFN2O6S/c22-16-10-14(11-18-21(16)31-7-1-6-30-18)12-20(26)24-15-2-3-17(23)19(13-15)32(27,28)25-4-8-29-9-5-25/h2-3,10-11,13H,1,4-9,12H2,(H,24,26)