[2-chloranyl-3-(3-piperidin-1-ylprop-1-ynyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-chloranyl-3-(3-piperidin-1-ylprop-1-ynyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-chloro-3-[3-(1-piperidyl)prop-1-ynyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-chloro-3-[3-(1-piperidinyl)prop-1-ynyl]phenyl] ester IUPAC Name: [2-chloro-3-(3-piperidin-1-ylprop-1-ynyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-chloro-3-(3-piperidinoprop-1-ynyl)phenyl] ester Formula: C15H15ClF3NO3S MolecularWeight: 381.79771

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(CC1)CC#CC2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C15H15ClF3NO3S/c16-14-12(7-5-11-20-9-2-1-3-10-20)6-4-8-13(14)23-24(21,22)15(17,18)19/h4,6,8H,1-3,9-11H2