N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C21H23F3N2O4S/c1-4-10-26-17-9-8-15(12-18(17)30-13-20(2,3)19(26)27)25-31(28,29)16-7-5-6-14(11-16)21(22,23)24/h5-9,11-12,25H,4,10,13H2,1-3H3