(6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-8-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-8-yl) tris(fluoranyl)methanesulfonate Openeye Name: (6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-8-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-(1-piperazinyl)-11H-benzo[b][1,4]benzodiazepin-8-yl] ester IUPAC Name: (6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-8-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6-piperazino-11H-benzo[b][1,4]benzodiazepin-8-yl) ester Formula: C18H17F3N4O3S MolecularWeight: 426.41279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3NC4=C2C=C(C=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3NC4=C2C=C(C=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O3S/c19-18(20,21)29(26,27)28-12-5-6-14-13(11-12)17(25-9-7-22-8-10-25)24-16-4-2-1-3-15(16)23-14/h1-6,11,22-23H,7-10H2