5-bromanyl-2-sulfanyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide

Systemtic Name: 5-bromanyl-2-sulfanyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide Openeye Name: 5-bromo-2-sulfanyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide CAS Name: 5-bromo-2-mercapto-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide IUPAC Name: 5-bromo-2-sulfanyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide Traditional Name: 5-bromo-2-mercapto-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide Formula: C16H17BrN2O2S2 MolecularWeight: 413.35238

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)Br)S

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)Br)S

InChI

InChI=1S/C16H17BrN2O2S2/c17-13-2-4-15(22)16(10-13)23(20,21)19-14-3-1-11-5-7-18-8-6-12(11)9-14/h1-4,9-10,18-19,22H,5-8H2