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

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-quinoline-8-sulfonamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-quinoline-8-sulfonamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-methyl-8-quinolinesulfonamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-methylquinoline-8-sulfonamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-quinoline-8-sulfonamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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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=CC=CC5=C4N=C(C=C5)C

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=C(C=C5)C

InChI

InChI=1S/C25H21N3O4S/c1-3-28-20-8-4-5-9-22(20)32-21-14-13-18(15-19(21)25(28)29)27-33(30,31)23-10-6-7-17-12-11-16(2)26-24(17)23/h4-15,27H,3H2,1-2H3