3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate

Systemtic Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate Openeye Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate CAS Name: methanesulfonic acid 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl ester IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN1C2=CC=CC=C2CCC3=CC=CC=C31

Isomeric SMILES

CS(=O)(=O)OCCCN1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C18H21NO3S/c1-23(20,21)22-14-6-13-19-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)19/h2-5,7-10H,6,11-14H2,1H3