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

Systemtic Name: 2-cyano-N-[4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 2-cyano-N-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: 2-cyano-N-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 2-cyano-N-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 2-cyano-N-[4-(4-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Formula: C23H18FN3O4S MolecularWeight: 451.470123

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)OCC(=O)N1CC4=CC=C(C=C4)F

Isomeric SMILES

C1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)OCC(=O)N1CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H18FN3O4S/c24-19-7-5-16(6-8-19)13-27-14-18-11-20(9-10-21(18)31-15-23(27)28)26-32(29,30)22-4-2-1-3-17(22)12-25/h1-11,26H,13-15H2