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

Systemtic Name: 4-tert-butyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 4-tert-butyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C26H36N2O4S MolecularWeight: 472.64004

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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(C)(C)C)OCC(C1=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4S/c1-18(2)14-15-28-22-16-20(10-13-23(22)32-17-26(6,7)24(28)29)27-33(30,31)21-11-8-19(9-12-21)25(3,4)5/h8-13,16,18,27H,14-15,17H2,1-7H3