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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-1-(2-methylphenyl)methanesulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-1-(o-tolyl)methanesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-(2-methylphenyl)methanesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-1-(2-methylphenyl)methanesulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-1-(o-tolyl)methanesulfonamide Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C

InChI

InChI=1S/C24H32N2O4S/c1-17(2)12-13-26-21-14-20(10-11-22(21)30-16-24(4,5)23(26)27)25-31(28,29)15-19-9-7-6-8-18(19)3/h6-11,14,17,25H,12-13,15-16H2,1-5H3