N-[5-bromanyl-2-[(7-fluoranyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)carbonyl]phenyl]quinoxaline-5-sulfonamide

Systemtic Name: N-[5-bromanyl-2-[(7-fluoranyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)carbonyl]phenyl]quinoxaline-5-sulfonamide Openeye Name: N-[5-bromo-2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenyl]quinoxaline-5-sulfonamide CAS Name: N-[5-bromo-2-[(7-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-oxomethyl]phenyl]-5-quinoxalinesulfonamide IUPAC Name: N-[5-bromo-2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenyl]quinoxaline-5-sulfonamide Traditional Name: N-[5-bromo-2-(7-fluoro-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenyl]quinoxaline-5-sulfonamide Formula: C25H20BrFN4O3S MolecularWeight: 555.418703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54)C=CC(=C2)F

Isomeric SMILES

C1CC2=C(CN(C1)C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54)C=CC(=C2)F

InChI

InChI=1S/C25H20BrFN4O3S/c26-18-7-9-20(25(32)31-12-2-3-16-13-19(27)8-6-17(16)15-31)22(14-18)30-35(33,34)23-5-1-4-21-24(23)29-11-10-28-21/h1,4-11,13-14,30H,2-3,12,15H2