3-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 3-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C22H26ClFN2O4S MolecularWeight: 468.969243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClFN2O4S/c1-14(2)9-10-26-19-11-15(5-8-20(19)30-13-22(3,4)21(26)27)25-31(28,29)16-6-7-18(24)17(23)12-16/h5-8,11-12,14,25H,9-10,13H2,1-4H3