2,5-bis(fluoranyl)-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide

Systemtic Name: 2,5-bis(fluoranyl)-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Openeye Name: 2,5-difluoro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide CAS Name: 2,5-difluoro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide IUPAC Name: 2,5-difluoro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Traditional Name: 2,5-difluoro-N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Formula: C18H18F2N2O4S MolecularWeight: 396.408326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O4S/c1-18(2)10-26-15-9-12(5-7-14(15)22(3)17(18)23)21-27(24,25)16-8-11(19)4-6-13(16)20/h4-9,21H,10H2,1-3H3