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

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

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=C(C=C5)C)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=C(C=C5)C)C(=O)N2C

InChI

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