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

Systemtic Name: N-(3-ethyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-3-nitro-benzenesulfonamide CAS Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3-ethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-ethyl-5-keto-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)-3-nitro-benzenesulfonamide Formula: C17H17N3O6S MolecularWeight: 391.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CCC1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C17H17N3O6S/c1-2-11-10-26-16-7-6-12(8-15(16)17(21)18-11)19-27(24,25)14-5-3-4-13(9-14)20(22)23/h3-9,11,19H,2,10H2,1H3,(H,18,21)