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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C21H15F3N2O4S MolecularWeight: 448.41501

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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(=C4)C(F)(F)F)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)N2

InChI

InChI=1S/C21H15F3N2O4S/c1-12-5-7-19-17(9-12)25-20(27)16-11-14(6-8-18(16)30-19)26-31(28,29)15-4-2-3-13(10-15)21(22,23)24/h2-11,26H,1H3,(H,25,27)