N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-8-quinolinesulfonamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C22H23N3O4S/c1-4-25-17-11-10-16(13-18(17)29-14-22(2,3)21(25)26)24-30(27,28)19-9-5-7-15-8-6-12-23-20(15)19/h5-13,24H,4,14H2,1-3H3