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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-fluoranyl-benzenesulfonamide Openeye Name: 3-fluoro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-fluorobenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-fluorobenzenesulfonamide Traditional Name: 3-fluoro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c1-14(2)12-24-18-11-16(8-9-19(18)28-13-21(3,4)20(24)25)23-29(26,27)17-7-5-6-15(22)10-17/h5-11,14,23H,12-13H2,1-4H3