2-(4-methoxyphenyl)-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)ethanesulfonamide

Systemtic Name: 2-(4-methoxyphenyl)-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)ethanesulfonamide Openeye Name: 2-(4-methoxyphenyl)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)ethanesulfonamide CAS Name: 2-(4-methoxyphenyl)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)ethanesulfonamide IUPAC Name: 2-(4-methoxyphenyl)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)ethanesulfonamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-7-yl)-2-(4-methoxyphenyl)ethanesulfonamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)CCC3=CC=C(C=C3)OC)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)CCC3=CC=C(C=C3)OC)N(C1=O)C)C

InChI

InChI=1S/C21H26N2O5S/c1-21(2)14-28-19-10-7-16(13-18(19)23(3)20(21)24)22-29(25,26)12-11-15-5-8-17(27-4)9-6-15/h5-10,13,22H,11-12,14H2,1-4H3