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

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-fluoro-3-methyl-benzenesulfonamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-fluoro-3-methylbenzenesulfonamide Traditional Name: 4-fluoro-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-3-methyl-benzenesulfonamide Formula: C22H19FN2O4S MolecularWeight: 426.460663

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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)C)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)C)C(=O)N2C

InChI

InChI=1S/C22H19FN2O4S/c1-13-4-8-21-19(10-13)25(3)22(26)17-12-15(5-9-20(17)29-21)24-30(27,28)16-6-7-18(23)14(2)11-16/h4-12,24H,1-3H3