[2-chloranyl-4-(3-piperidin-1-ylprop-1-ynyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-chloranyl-4-(3-piperidin-1-ylprop-1-ynyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-chloro-4-[3-(1-piperidyl)prop-1-ynyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-chloro-4-[3-(1-piperidinyl)prop-1-ynyl]phenyl] ester IUPAC Name: [2-chloro-4-(3-piperidin-1-ylprop-1-ynyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-chloro-4-(3-piperidinoprop-1-ynyl)phenyl] ester Formula: C15H15ClF3NO3S MolecularWeight: 381.79771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClF3NO3S/c16-13-11-12(5-4-10-20-8-2-1-3-9-20)6-7-14(13)23-24(21,22)15(17,18)19/h6-7,11H,1-3,8-10H2