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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O5S/c1-5-11-25-18-12-15(7-9-20(18)30-14-22(3,4)21(25)26)24-31(27,28)16-8-10-19(29-6-2)17(23)13-16/h7-10,12-13,24H,5-6,11,14H2,1-4H3