N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide Formula: C20H21F3N2O5S MolecularWeight: 458.45135

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C20H21F3N2O5S/c1-4-25-16-10-5-13(11-17(16)29-12-19(2,3)18(25)26)24-31(27,28)15-8-6-14(7-9-15)30-20(21,22)23/h5-11,24H,4,12H2,1-3H3