[3-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[3-(1-azepanyl)prop-1-ynyl]-2-methylphenyl] ester IUPAC Name: [3-[3-(azepan-1-yl)prop-1-ynyl]-2-methylphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] ester Formula: C17H20F3NO3S MolecularWeight: 375.40581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C#CCN2CCCCCC2

Isomeric SMILES

CC1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C#CCN2CCCCCC2

InChI

InChI=1S/C17H20F3NO3S/c1-14-15(9-7-13-21-11-4-2-3-5-12-21)8-6-10-16(14)24-25(22,23)17(18,19)20/h6,8,10H,2-5,11-13H2,1H3