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

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-8-quinolinesulfonamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide Formula: C22H14ClN3O4S MolecularWeight: 451.88226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)OC5=C(C=C(C=C5)Cl)NC4=O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)OC5=C(C=C(C=C5)Cl)NC4=O)N=CC=C2

InChI

InChI=1S/C22H14ClN3O4S/c23-14-6-8-19-17(11-14)25-22(27)16-12-15(7-9-18(16)30-19)26-31(28,29)20-5-1-3-13-4-2-10-24-21(13)20/h1-12,26H,(H,25,27)