N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-fluoranyl-benzenesulfonamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-fluoro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-fluorobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-2-fluorobenzenesulfonamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-fluoro-benzenesulfonamide Formula: C20H21FN2O4S MolecularWeight: 404.455143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3F)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3F)N(C1=O)CC=C)C

InChI

InChI=1S/C20H21FN2O4S/c1-4-11-23-16-12-14(9-10-17(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