[(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl] ester IUPAC Name: [(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-keto-indolizidin-7-yl] ester Formula: C25H21F10NO5S MolecularWeight: 637.486972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CN3C(C2C4=CC=C(C=C4)F)CC(CC3=O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CN3C([C@@H]2C4=CC=C(C=C4)F)CC(CC3=O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C25H21F10NO5S/c1-12(14-6-15(23(27,28)29)8-16(7-14)24(30,31)32)40-20-11-36-19(22(20)13-2-4-17(26)5-3-13)9-18(10-21(36)37)41-42(38,39)25(33,34)35/h2-8,12,18-20,22H,9-11H2,1H3/t12-,18?,19?,20+,22+/m1/s1