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

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

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

Isomeric SMILES

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

InChI

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