3-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-fluoranyl-benzenesulfonamide Openeye Name: 3-chloro-N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-fluorobenzenesulfonamide IUPAC Name: 3-chloro-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-fluorobenzenesulfonamide Traditional Name: 3-chloro-N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-4-fluoro-benzenesulfonamide Formula: C21H16ClFN2O4S MolecularWeight: 446.879143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2O4S/c1-2-25-18-5-3-4-6-20(18)29-19-10-7-13(11-15(19)21(25)26)24-30(27,28)14-8-9-17(23)16(22)12-14/h3-12,24H,2H2,1H3