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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)Cl)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)F)Cl)C(=O)N2C

InChI

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