N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-(4-methoxyphenyl)ethanesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-(4-methoxyphenyl)ethanesulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-(4-methoxyphenyl)ethanesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-(4-methoxyphenyl)ethanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-(4-methoxyphenyl)ethanesulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-(4-methoxyphenyl)ethanesulfonamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O5S/c1-18(2)12-14-27-22-16-20(8-11-23(22)32-17-25(3,4)24(27)28)26-33(29,30)15-13-19-6-9-21(31-5)10-7-19/h6-11,16,18,26H,12-15,17H2,1-5H3