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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-phenyl-ethanesulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-phenyl-ethanesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-phenylethanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-phenylethanesulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-phenyl-ethanesulfonamide Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-18(2)12-14-26-21-11-10-20(16-22(21)30-17-24(3,4)23(26)27)25-31(28,29)15-13-19-8-6-5-7-9-19/h5-11,16,18,25H,12-15,17H2,1-4H3