N-[5-bromanyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylcarbonyl)phenyl]quinoxaline-5-sulfonamide

Systemtic Name: N-[5-bromanyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylcarbonyl)phenyl]quinoxaline-5-sulfonamide Openeye Name: N-[5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenyl]quinoxaline-5-sulfonamide CAS Name: N-[5-bromo-2-[oxo(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methyl]phenyl]-5-quinoxalinesulfonamide IUPAC Name: N-[5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenyl]quinoxaline-5-sulfonamide Traditional Name: N-[5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenyl]quinoxaline-5-sulfonamide Formula: C25H21BrN4O3S MolecularWeight: 537.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CN(C1)C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54

Isomeric SMILES

C1CC2=CC=CC=C2CN(C1)C(=O)C3=C(C=C(C=C3)Br)NS(=O)(=O)C4=CC=CC5=NC=CN=C54

InChI

InChI=1S/C25H21BrN4O3S/c26-19-10-11-20(25(31)30-14-4-7-17-5-1-2-6-18(17)16-30)22(15-19)29-34(32,33)23-9-3-8-21-24(23)28-13-12-27-21/h1-3,5-6,8-13,15,29H,4,7,14,16H2