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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-3-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/c1-4-10-22-17-11-14(8-9-18(17)29-13-20(2,3)19(22)24)21-30(27,28)16-7-5-6-15(12-16)23(25)26/h5-9,11-12,21H,4,10,13H2,1-3H3