2-methyl-5-nitro-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3C)(C)C

InChI

InChI=1S/C19H21N3O6S/c1-12-5-7-14(22(24)25)10-17(12)29(26,27)20-13-6-8-16-15(9-13)21(4)18(23)19(2,3)11-28-16/h5-10,20H,11H2,1-4H3