2-methyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-5-nitrobenzenesulfonamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C)C(=O)N2

InChI

InChI=1S/C21H17N3O6S/c1-12-3-7-19-17(9-12)22-21(25)16-10-14(5-8-18(16)30-19)23-31(28,29)20-11-15(24(26)27)6-4-13(20)2/h3-11,23H,1-2H3,(H,22,25)