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

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

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)C)Cl)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)C)Cl)C(=O)N2C

InChI

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