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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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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)N3)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3)(C)C

InChI

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