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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1-(2,5-dimethylphenyl)methanesulfonamide Openeye Name: 1-(2,5-dimethylphenyl)-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)methanesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-(2,5-dimethylphenyl)methanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-(2,5-dimethylphenyl)methanesulfonamide Traditional Name: 1-(2,5-dimethylphenyl)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)methanesulfonamide Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

InChI

InChI=1S/C25H34N2O4S/c1-17(2)11-12-27-22-14-21(9-10-23(22)31-16-25(5,6)24(27)28)26-32(29,30)15-20-13-18(3)7-8-19(20)4/h7-10,13-14,17,26H,11-12,15-16H2,1-6H3