N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-nitro-benzenesulfonamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-nitro-benzenesulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OCC(C1=O)(C)C

InChI

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