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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]ethanesulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)ethanesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]ethanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]ethanesulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)ethanesulfonamide Formula: C18H28N2O4S MolecularWeight: 368.49092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CCC(C)C)(C)C

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CCC(C)C)(C)C

InChI

InChI=1S/C18H28N2O4S/c1-6-25(22,23)19-14-7-8-16-15(11-14)20(10-9-13(2)3)17(21)18(4,5)12-24-16/h7-8,11,13,19H,6,9-10,12H2,1-5H3