N-[5-bromanyl-2-[(8-fluoranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]phenyl]quinoxaline-5-sulfonamide

Systemtic Name: N-[5-bromanyl-2-[(8-fluoranyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]phenyl]quinoxaline-5-sulfonamide Openeye Name: N-[5-bromo-2-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide CAS Name: N-[5-bromo-2-[(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-oxomethyl]phenyl]-5-quinoxalinesulfonamide IUPAC Name: N-[5-bromo-2-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide Traditional Name: N-[5-bromo-2-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide Formula: C24H18BrFN4O4S MolecularWeight: 557.391523

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54)C=CC(=C2)F

Isomeric SMILES

C1COC2=C(CN1C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54)C=CC(=C2)F

InChI

InChI=1S/C24H18BrFN4O4S/c25-16-5-7-18(24(31)30-10-11-34-21-13-17(26)6-4-15(21)14-30)20(12-16)29-35(32,33)22-3-1-2-19-23(22)28-9-8-27-19/h1-9,12-13,29H,10-11,14H2