2-[11-ethyl-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzazepin-6-yl]ethyl methanesulfonate

Systemtic Name: 2-[11-ethyl-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzazepin-6-yl]ethyl methanesulfonate Openeye Name: 2-[11-ethyl-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzazepin-6-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[11-ethyl-5-(2-methylsulfonyloxyethyl)-6-benzo[b][1]benzazepinyl]ethyl ester IUPAC Name: 2-[11-ethyl-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzazepin-6-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[11-ethyl-5-(2-methylsulfonyloxyethyl)benzo[b][1]benzazepin-6-yl]ethyl ester Formula: C22H27NO6S2 MolecularWeight: 465.58288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C3=CC=CC=C31)CCOS(=O)(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C3=CC=CC=C31)CCOS(=O)(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C22H27NO6S2/c1-4-23-21-11-7-5-9-19(21)17(13-15-28-30(2,24)25)18(14-16-29-31(3,26)27)20-10-6-8-12-22(20)23/h5-12H,4,13-16H2,1-3H3