N-[5-bromanyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylcarbonyl)phenyl]quinoxaline-5-sulfonamide

Systemtic Name: N-[5-bromanyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylcarbonyl)phenyl]quinoxaline-5-sulfonamide Openeye Name: N-[5-bromo-2-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide CAS Name: N-[5-bromo-2-[3,5-dihydro-2H-1,4-benzoxazepin-4-yl(oxo)methyl]phenyl]-5-quinoxalinesulfonamide IUPAC Name: N-[5-bromo-2-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide Traditional Name: N-[5-bromo-2-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]quinoxaline-5-sulfonamide Formula: C24H19BrN4O4S MolecularWeight: 539.40106

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2CN1C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54

Isomeric SMILES

C1COC2=CC=CC=C2CN1C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54

InChI

InChI=1S/C24H19BrN4O4S/c25-17-8-9-18(24(30)29-12-13-33-21-6-2-1-4-16(21)15-29)20(14-17)28-34(31,32)22-7-3-5-19-23(22)27-11-10-26-19/h1-11,14,28H,12-13,15H2