N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzenesulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-nitro-benzenesulfonamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1=O)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1=O)C

InChI

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