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

Systemtic Name: 4-tert-butyl-N-(5-oxidanylidene-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 4-tert-butyl-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-(5-keto-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-25(2,3)18-9-12-21(13-10-18)32(29,30)26-19-11-14-23-22(17-19)24(28)27(15-16-31-23)20-7-5-4-6-8-20/h4-14,17,26H,15-16H2,1-3H3