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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]methanesulfonamide Openeye Name: 1-(3,4-dimethoxyphenyl)-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)methanesulfonamide CAS Name: 1-(3,4-dimethoxyphenyl)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]methanesulfonamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]methanesulfonamide Traditional Name: 1-(3,4-dimethoxyphenyl)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)methanesulfonamide Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC(=C(C=C3)OC)OC)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC(=C(C=C3)OC)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C25H34N2O6S/c1-17(2)11-12-27-20-14-19(8-10-21(20)33-16-25(3,4)24(27)28)26-34(29,30)15-18-7-9-22(31-5)23(13-18)32-6/h7-10,13-14,17,26H,11-12,15-16H2,1-6H3