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

Systemtic Name: N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3-fluoranyl-4-methyl-benzenesulfonamide Openeye Name: 3-fluoro-4-methyl-N-(2-methyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-fluoro-4-methylbenzenesulfonamide IUPAC Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-fluoro-4-methylbenzenesulfonamide Traditional Name: 3-fluoro-N-(3-keto-2-methyl-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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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)C)F)OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)F)OC(C1=O)C

InChI

InChI=1S/C21H25FN2O4S/c1-5-14(3)24-12-16-10-17(7-9-20(16)28-15(4)21(24)25)23-29(26,27)18-8-6-13(2)19(22)11-18/h6-11,14-15,23H,5,12H2,1-4H3