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

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

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

InChI

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