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

Systemtic Name: 3-nitro-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 3-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 3-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)-3-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N(C1=O)C)C

InChI

InChI=1S/C18H19N3O6S/c1-18(2)11-27-16-8-7-12(9-15(16)20(3)17(18)22)19-28(25,26)14-6-4-5-13(10-14)21(23)24/h4-10,19H,11H2,1-3H3