4-bromanyl-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Openeye Name: 4-bromo-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide CAS Name: 4-bromo-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide IUPAC Name: 4-bromo-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Traditional Name: 4-bromo-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)OCC(C1=O)(C)C

InChI

InChI=1S/C20H23BrN2O4S/c1-4-11-23-17-10-7-15(12-18(17)27-13-20(2,3)19(23)24)22-28(25,26)16-8-5-14(21)6-9-16/h5-10,12,22H,4,11,13H2,1-3H3