(7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) ethanoate hydrobromide

Systemtic Name: (7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) ethanoate hydrobromide Openeye Name: (7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) acetate hydrobromide CAS Name: acetic acid (7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) ester hydrobromide IUPAC Name: (7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) acetate hydrobromide Traditional Name: acetic acid (7-mesyl-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) ester hydrobromide Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2CCNCCC2=C1)S(=O)(=O)C.Br

Isomeric SMILES

CC(=O)OC1=C(C=C2CCNCCC2=C1)S(=O)(=O)C.Br

InChI

InChI=1S/C13H17NO4S.BrH/c1-9(15)18-12-7-10-3-5-14-6-4-11(10)8-13(12)19(2,16)17;/h7-8,14H,3-6H2,1-2H3;1H