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

Systemtic Name: 2-bromanyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-bromo-benzenesulfonamide CAS Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide IUPAC Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-bromo-benzenesulfonamide Formula: C20H21BrN2O4S MolecularWeight: 465.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3Br)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3Br)N(C1=O)CC=C)C

InChI

InChI=1S/C20H21BrN2O4S/c1-4-11-23-16-10-9-14(12-17(16)27-13-20(2,3)19(23)24)22-28(25,26)18-8-6-5-7-15(18)21/h4-10,12,22H,1,11,13H2,2-3H3