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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide Openeye Name: 4-ethoxy-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3,5-dimethyl-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3,5-dimethylbenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3,5-dimethylbenzenesulfonamide Traditional Name: 4-ethoxy-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3,5-dimethyl-benzenesulfonamide Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)C

InChI

InChI=1S/C26H36N2O5S/c1-8-32-24-18(4)13-21(14-19(24)5)34(30,31)27-20-9-10-23-22(15-20)28(12-11-17(2)3)25(29)26(6,7)16-33-23/h9-10,13-15,17,27H,8,11-12,16H2,1-7H3