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

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-fluoranyl-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-fluoro-benzenesulfonamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-fluorobenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-fluorobenzenesulfonamide Traditional Name: 2-fluoro-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Formula: C21H17FN2O4S MolecularWeight: 412.434083

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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=CC=C4F)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)C(=O)N2C

InChI

InChI=1S/C21H17FN2O4S/c1-13-7-9-19-17(11-13)24(2)21(25)15-12-14(8-10-18(15)28-19)23-29(26,27)20-6-4-3-5-16(20)22/h3-12,23H,1-2H3