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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-5-10-23-17-11-15(7-9-18(17)30-13-21(3,4)20(23)25)22-31(28,29)19-12-16(24(26)27)8-6-14(19)2/h6-9,11-12,22H,5,10,13H2,1-4H3