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

Systemtic Name: N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Openeye Name: N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide CAS Name: N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-8-quinolinesulfonamide IUPAC Name: N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)quinoline-8-sulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N(C1=O)C)C

InChI

InChI=1S/C21H21N3O4S/c1-21(2)13-28-17-12-15(9-10-16(17)24(3)20(21)25)23-29(26,27)18-8-4-6-14-7-5-11-22-19(14)18/h4-12,23H,13H2,1-3H3