N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide Formula: C21H15F3N2O5S MolecularWeight: 464.41441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)C(=O)N2

InChI

InChI=1S/C21H15F3N2O5S/c1-12-2-8-19-17(10-12)25-20(27)16-11-13(3-9-18(16)30-19)26-32(28,29)15-6-4-14(5-7-15)31-21(22,23)24/h2-11,26H,1H3,(H,25,27)