1-bromanyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]methanesulfonamide

Systemtic Name: 1-bromanyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]methanesulfonamide Openeye Name: 1-bromo-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)methanesulfonamide CAS Name: 1-bromo-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]methanesulfonamide IUPAC Name: 1-bromo-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]methanesulfonamide Traditional Name: 1-bromo-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)methanesulfonamide Formula: C17H25BrN2O4S MolecularWeight: 433.3604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)CBr)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)CBr)OCC(C1=O)(C)C

InChI

InChI=1S/C17H25BrN2O4S/c1-12(2)7-8-20-14-9-13(19-25(22,23)11-18)5-6-15(14)24-10-17(3,4)16(20)21/h5-6,9,12,19H,7-8,10-11H2,1-4H3