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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]quinoline-8-sulfonamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-8-quinolinesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]quinoline-8-sulfonamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C24H27N3O4S/c1-16(2)14-27-19-11-10-18(13-20(19)31-15-24(3,4)23(27)28)26-32(29,30)21-9-5-7-17-8-6-12-25-22(17)21/h5-13,16,26H,14-15H2,1-4H3