N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C23H27F3N2O4S MolecularWeight: 484.53169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C23H27F3N2O4S/c1-15(2)11-12-28-19-13-17(7-10-20(19)32-14-22(3,4)21(28)29)27-33(30,31)18-8-5-16(6-9-18)23(24,25)26/h5-10,13,15,27H,11-12,14H2,1-4H3