N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-4-phenyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C25H26N2O4S/c1-4-27-22-16-20(12-15-23(22)31-17-25(2,3)24(27)28)26-32(29,30)21-13-10-19(11-14-21)18-8-6-5-7-9-18/h5-16,26H,4,17H2,1-3H3