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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCOC2=C(C1=O)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1CCOC2=C(C1=O)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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