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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3C)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3C)OCC(C1=O)(C)C

InChI

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