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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-nitro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-nitro-benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC(C1=O)(C)C

InChI

InChI=1S/C20H23N3O6S/c1-4-11-22-16-12-14(9-10-17(16)29-13-20(2,3)19(22)24)21-30(27,28)18-8-6-5-7-15(18)23(25)26/h5-10,12,21H,4,11,13H2,1-3H3