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

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N3O6S/c1-3-24-18-6-4-5-7-20(18)31-19-11-9-15(12-17(19)22(24)26)23-32(29,30)21-13-16(25(27)28)10-8-14(21)2/h4-13,23H,3H2,1-2H3