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

Systemtic Name: 4-fluoranyl-N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-(4-isobutyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 4-fluoro-N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-(4-isobutyl-3-keto-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)OCC1=O

Isomeric SMILES

CC(C)CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)OCC1=O

InChI

InChI=1S/C19H21FN2O4S/c1-13(2)10-22-11-14-9-16(5-8-18(14)26-12-19(22)23)21-27(24,25)17-6-3-15(20)4-7-17/h3-9,13,21H,10-12H2,1-2H3