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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-fluoranyl-2-methyl-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-fluoro-2-methyl-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-fluoro-2-methylbenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-fluoro-2-methylbenzenesulfonamide Traditional Name: 5-fluoro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methyl-benzenesulfonamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c1-5-10-24-17-9-8-16(12-18(17)28-13-21(3,4)20(24)25)23-29(26,27)19-11-15(22)7-6-14(19)2/h6-9,11-12,23H,5,10,13H2,1-4H3