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

Systemtic Name: 3-fluoranyl-4-methyl-N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 3-fluoro-N-(4-isobutyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide CAS Name: 3-fluoro-4-methyl-N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 3-fluoro-4-methyl-N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 3-fluoro-N-(4-isobutyl-3-keto-5H-1,4-benzoxazepin-7-yl)-4-methyl-benzenesulfonamide Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(=O)N(C3)CC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(=O)N(C3)CC(C)C)F

InChI

InChI=1S/C20H23FN2O4S/c1-13(2)10-23-11-15-8-16(5-7-19(15)27-12-20(23)24)22-28(25,26)17-6-4-14(3)18(21)9-17/h4-9,13,22H,10-12H2,1-3H3