[4-[4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[4-(2-tetralin-1-ylethyl)piperazin-1-yl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1-piperazinyl]phenyl] ester IUPAC Name: [4-[4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]piperazin-1-yl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[4-(2-tetralin-1-ylethyl)piperazino]phenyl] ester Formula: C23H27F3N2O3S MolecularWeight: 468.53229

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)CCN3CCN(CC3)C4=CC=C(C=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)CCN3CCN(CC3)C4=CC=C(C=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C23H27F3N2O3S/c24-23(25,26)32(29,30)31-21-10-8-20(9-11-21)28-16-14-27(15-17-28)13-12-19-6-3-5-18-4-1-2-7-22(18)19/h1-2,4,7-11,19H,3,5-6,12-17H2