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

Systemtic Name: 3-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-4-methyl-benzenesulfonamide Openeye Name: 3-chloro-N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-4-methyl-benzenesulfonamide CAS Name: 3-chloro-N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-4-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide Traditional Name: 3-chloro-N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-4-methyl-benzenesulfonamide Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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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=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C22H19ClN2O4S/c1-3-25-19-6-4-5-7-21(19)29-20-11-9-15(12-17(20)22(25)26)24-30(27,28)16-10-8-14(2)18(23)13-16/h4-13,24H,3H2,1-2H3