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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-fluoranyl-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-fluoro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-fluorobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-4-fluorobenzenesulfonamide Traditional Name: 4-fluoro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/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