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

Systemtic Name: 3-chloranyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 3-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H24ClFN2O4S MolecularWeight: 454.942663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClFN2O4S/c1-13(2)11-25-18-9-14(5-8-19(18)29-12-21(3,4)20(25)26)24-30(27,28)15-6-7-17(23)16(22)10-15/h5-10,13,24H,11-12H2,1-4H3