[2-[4-(2-oxidanylideneimidazolidin-1-yl)-1-piperidin-1-yl-butyl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[4-(2-oxidanylideneimidazolidin-1-yl)-1-piperidin-1-yl-butyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[4-(2-oxoimidazolidin-1-yl)-1-(1-piperidyl)butyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[4-(2-oxo-1-imidazolidinyl)-1-(1-piperidinyl)butyl]phenyl] ester IUPAC Name: [2-[4-(2-oxoimidazolidin-1-yl)-1-piperidin-1-ylbutyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-[4-(2-ketoimidazolidin-1-yl)-1-piperidino-butyl]phenyl] ester Formula: C19H26F3N3O4S MolecularWeight: 449.48765

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CCCN2CCNC2=O)C3=CC=CC=C3OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(CCCN2CCNC2=O)C3=CC=CC=C3OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O4S/c20-19(21,22)30(27,28)29-17-9-3-2-7-15(17)16(24-11-4-1-5-12-24)8-6-13-25-14-10-23-18(25)26/h2-3,7,9,16H,1,4-6,8,10-14H2,(H,23,26)