N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C22H25F3N2O4S MolecularWeight: 470.50511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C22H25F3N2O4S/c1-14(2)12-27-18-9-8-16(11-19(18)31-13-21(3,4)20(27)28)26-32(29,30)17-7-5-6-15(10-17)22(23,24)25/h5-11,14,26H,12-13H2,1-4H3