N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-5-fluoranyl-2-methoxy-benzenesulfonamide

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-5-fluoranyl-2-methoxy-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-5-fluoro-2-methoxy-benzenesulfonamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-5-fluoro-2-methoxybenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-5-fluoro-2-methoxybenzenesulfonamide Traditional Name: 5-fluoro-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-2-methoxy-benzenesulfonamide Formula: C22H19FN2O5S MolecularWeight: 442.460063

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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=C(C=CC(=C4)F)OC)C(=O)N2C

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O5S/c1-13-4-7-19-17(10-13)25(2)22(26)16-12-15(6-9-18(16)30-19)24-31(27,28)21-11-14(23)5-8-20(21)29-3/h4-12,24H,1-3H3