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

Systemtic Name: 3-nitro-N-(5-oxidanylidene-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 3-nitro-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 3-nitro-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide Traditional Name: N-(5-keto-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)-3-nitro-benzenesulfonamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)N1C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O6S/c25-21-19-13-15(22-31(28,29)18-8-4-7-17(14-18)24(26)27)9-10-20(19)30-12-11-23(21)16-5-2-1-3-6-16/h1-10,13-14,22H,11-12H2