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

Systemtic Name: 3-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-benzenesulfonamide Openeye Name: 3-chloro-N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-benzenesulfonamide CAS Name: 3-chloro-N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-methylbenzenesulfonamide IUPAC Name: 3-chloro-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-methylbenzenesulfonamide Traditional Name: 3-chloro-N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-2-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=C(C(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

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