3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate

Systemtic Name: 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate Openeye Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate CAS Name: methanesulfonic acid 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl ester IUPAC Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)OCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-24(21,22)23-12-4-11-20-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)20/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3