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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethoxy)benzenesulfonamide Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)N(C1=O)CC=C)C

InChI

InChI=1S/C21H21F3N2O5S/c1-4-11-26-17-10-5-14(12-18(17)30-13-20(2,3)19(26)27)25-32(28,29)16-8-6-15(7-9-16)31-21(22,23)24/h4-10,12,25H,1,11,13H2,2-3H3