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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-8-quinolinesulfonamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)OCC(C1=O)(C)C

InChI

InChI=1S/C23H25N3O4S/c1-4-13-26-18-11-10-17(14-19(18)30-15-23(2,3)22(26)27)25-31(28,29)20-9-5-7-16-8-6-12-24-21(16)20/h5-12,14,25H,4,13,15H2,1-3H3