[2-(1-butyl-2-oxidanylidene-3-piperazin-1-yl-imidazolidin-4-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(1-butyl-2-oxidanylidene-3-piperazin-1-yl-imidazolidin-4-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(1-butyl-2-oxo-3-piperazin-1-yl-imidazolidin-4-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[1-butyl-2-oxo-3-(1-piperazinyl)-4-imidazolidinyl]phenyl] ester IUPAC Name: [2-(1-butyl-2-oxo-3-piperazin-1-ylimidazolidin-4-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(1-butyl-2-keto-3-piperazino-imidazolidin-4-yl)phenyl] ester Formula: C18H25F3N4O4S MolecularWeight: 450.47571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(N(C1=O)N2CCNCC2)C3=CC=CC=C3OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCN1CC(N(C1=O)N2CCNCC2)C3=CC=CC=C3OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H25F3N4O4S/c1-2-3-10-23-13-15(25(17(23)26)24-11-8-22-9-12-24)14-6-4-5-7-16(14)29-30(27,28)18(19,20)21/h4-7,15,22H,2-3,8-13H2,1H3