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

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,4,5-trimethyl-benzenesulfonamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,4,5-trimethyl-benzenesulfonamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,4,5-trimethylbenzenesulfonamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,4,5-trimethylbenzenesulfonamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,4,5-trimethyl-benzenesulfonamide Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O)C

InChI

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