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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)N1)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)N1)C

InChI

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