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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-8-quinolinesulfonamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)quinoline-8-sulfonamide Formula: C23H17N3O4S MolecularWeight: 431.46378

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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=CC5=C4N=CC=C5)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)C(=O)N2

InChI

InChI=1S/C23H17N3O4S/c1-14-7-9-20-18(12-14)25-23(27)17-13-16(8-10-19(17)30-20)26-31(28,29)21-6-2-4-15-5-3-11-24-22(15)21/h2-13,26H,1H3,(H,25,27)