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

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)-2-phenyl-ethanesulfonamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-phenyl-ethanesulfonamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-phenylethanesulfonamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-phenylethanesulfonamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-phenyl-ethanesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NS(=O)(=O)CCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NS(=O)(=O)CCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C21H26N2O4S/c1-4-23-18-14-17(10-11-19(18)27-15-21(2,3)20(23)24)22-28(25,26)13-12-16-8-6-5-7-9-16/h5-11,14,22H,4,12-13,15H2,1-3H3