N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]quinoline-8-sulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]quinoline-8-sulfonamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)quinoline-8-sulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-8-quinolinesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]quinoline-8-sulfonamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)quinoline-8-sulfonamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-17(2)12-14-28-20-15-19(10-11-21(20)32-16-25(3,4)24(28)29)27-33(30,31)22-9-5-7-18-8-6-13-26-23(18)22/h5-11,13,15,17,27H,12,14,16H2,1-4H3