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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-fluoranyl-benzenesulfonamide Openeye Name: 3-fluoro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-fluorobenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-fluorobenzenesulfonamide Traditional Name: 3-fluoro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzenesulfonamide Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C22H27FN2O4S/c1-15(2)10-11-25-19-9-8-17(13-20(19)29-14-22(3,4)21(25)26)24-30(27,28)18-7-5-6-16(23)12-18/h5-9,12-13,15,24H,10-11,14H2,1-4H3