4-tert-butyl-N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 4-tert-butyl-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)NC1=O)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)NC1=O)C

InChI

InChI=1S/C21H26N2O4S/c1-20(2,3)14-6-9-16(10-7-14)28(25,26)23-15-8-11-18-17(12-15)22-19(24)21(4,5)13-27-18/h6-12,23H,13H2,1-5H3,(H,22,24)