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

Systemtic Name: 2-cyano-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 2-cyano-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide CAS Name: 2-cyano-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 2-cyano-N-[2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 2-cyano-N-[2-ethyl-4-(4-fluorobenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]benzenesulfonamide Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O4S/c1-2-22-25(30)29(15-17-7-9-20(26)10-8-17)16-19-13-21(11-12-23(19)33-22)28-34(31,32)24-6-4-3-5-18(24)14-27/h3-13,22,28H,2,15-16H2,1H3