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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-methyl-benzenesulfonamide Openeye Name: 4-ethoxy-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-methyl-benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-methylbenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-methylbenzenesulfonamide Traditional Name: 4-ethoxy-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-methyl-benzenesulfonamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)C

InChI

InChI=1S/C25H34N2O5S/c1-7-31-22-11-9-20(14-18(22)4)33(29,30)26-19-8-10-23-21(15-19)27(13-12-17(2)3)24(28)25(5,6)16-32-23/h8-11,14-15,17,26H,7,12-13,16H2,1-6H3