N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-phenyl-methanesulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-1-phenyl-methanesulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-phenylmethanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-phenylmethanesulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-1-phenyl-methanesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H28N2O4S/c1-16(2)13-24-19-11-10-18(12-20(19)28-15-22(3,4)21(24)25)23-29(26,27)14-17-8-6-5-7-9-17/h5-12,16,23H,13-15H2,1-4H3