[4-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[3-(1-azepanyl)prop-1-ynyl]-2-methylphenyl] ester IUPAC Name: [4-[3-(azepan-1-yl)prop-1-ynyl]-2-methylphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[3-(azepan-1-yl)prop-1-ynyl]-2-methyl-phenyl] ester Formula: C17H20F3NO3S MolecularWeight: 375.40581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN2CCCCCC2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN2CCCCCC2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H20F3NO3S/c1-14-13-15(7-6-12-21-10-4-2-3-5-11-21)8-9-16(14)24-25(22,23)17(18,19)20/h8-9,13H,2-5,10-12H2,1H3