N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-fluoranyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: 3-fluoro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-methoxy-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: 3-fluoro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-methoxy-benzenesulfonamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)F)OCC(C1=O)(C)C

InChI

InChI=1S/C22H27FN2O5S/c1-14(2)12-25-18-10-15(6-8-20(18)30-13-22(3,4)21(25)26)24-31(27,28)16-7-9-19(29-5)17(23)11-16/h6-11,14,24H,12-13H2,1-5H3