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

Systemtic Name: 2-nitro-N-(5-oxidanylidene-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide Openeye Name: 2-nitro-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide CAS Name: 2-nitro-N-(5-oxo-4-phenyl-2,3-dihydro-1,4-benzoxazepin-7-yl)benzenesulfonamide IUPAC Name: 2-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)-2-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/c25-21-17-14-15(22-31(28,29)20-9-5-4-8-18(20)24(26)27)10-11-19(17)30-13-12-23(21)16-6-2-1-3-7-16/h1-11,14,22H,12-13H2