N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C22H17F3N2O4S MolecularWeight: 462.44159

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O4S/c1-2-27-18-5-3-4-6-20(18)31-19-12-9-15(13-17(19)21(27)28)26-32(29,30)16-10-7-14(8-11-16)22(23,24)25/h3-13,26H,2H2,1H3