(6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-8-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-8-yl) tris(fluoranyl)methanesulfonate Openeye Name: (6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-8-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(1-piperazinyl)-8-benzo[b][1,4]benzoxazepinyl] ester IUPAC Name: (6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-8-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6-piperazinobenzo[b][1,4]benzoxazepin-8-yl) ester Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O4S/c19-18(20,21)29(25,26)28-12-5-6-15-13(11-12)17(24-9-7-22-8-10-24)23-14-3-1-2-4-16(14)27-15/h1-6,11,22H,7-10H2