N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-1-(3-fluorophenyl)methanesulfonamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-1-(3-fluorophenyl)methanesulfonamide Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)CC4=CC(=CC=C4)F

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H19FN2O4S/c1-2-25-19-8-3-4-9-21(19)29-20-11-10-17(13-18(20)22(25)26)24-30(27,28)14-15-6-5-7-16(23)12-15/h3-13,24H,2,14H2,1H3