2-bromanyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide

Systemtic Name: 2-bromanyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Openeye Name: 2-bromo-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide CAS Name: 2-bromo-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide IUPAC Name: 2-bromo-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Traditional Name: 2-bromo-N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Br)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Br)C(=O)N2

InChI

InChI=1S/C20H15BrN2O4S/c1-12-6-8-18-16(10-12)22-20(24)14-11-13(7-9-17(14)27-18)23-28(25,26)19-5-3-2-4-15(19)21/h2-11,23H,1H3,(H,22,24)