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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CNC(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

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