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

Systemtic Name: N-(4-butan-2-yl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-4-fluoranyl-benzenesulfonamide Openeye Name: 4-fluoro-N-(3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-fluorobenzenesulfonamide IUPAC Name: N-(4-butan-2-yl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-fluorobenzenesulfonamide Traditional Name: 4-fluoro-N-(3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)OCC1=O

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)OCC1=O

InChI

InChI=1S/C19H21FN2O4S/c1-3-13(2)22-11-14-10-16(6-9-18(14)26-12-19(22)23)21-27(24,25)17-7-4-15(20)5-8-17/h4-10,13,21H,3,11-12H2,1-2H3