[2-fluoranyl-6-[3-fluoranyl-4-[(1R)-1-[[1-[2,2,2-tris(fluoranyl)ethanoylamino]cyclopropyl]carbonylamino]ethyl]phenyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-fluoranyl-6-[3-fluoranyl-4-[(1R)-1-[[1-[2,2,2-tris(fluoranyl)ethanoylamino]cyclopropyl]carbonylamino]ethyl]phenyl]phenyl] propane-2-sulfonate Openeye Name: [2-fluoro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-fluoro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-fluoro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]phenyl] ester Formula: C23H23F5N2O5S MolecularWeight: 534.496136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC=C1F)C2=CC(=C(C=C2)C(C)NC(=O)C3(CC3)NC(=O)C(F)(F)F)F

Isomeric SMILES

C[C@H](C1=C(C=C(C=C1)C2=C(C(=CC=C2)F)OS(=O)(=O)C(C)C)F)NC(=O)C3(CC3)NC(=O)C(F)(F)F

InChI

InChI=1S/C23H23F5N2O5S/c1-12(2)36(33,34)35-19-16(5-4-6-17(19)24)14-7-8-15(18(25)11-14)13(3)29-20(31)22(9-10-22)30-21(32)23(26,27)28/h4-8,11-13H,9-10H2,1-3H3,(H,29,31)(H,30,32)/t13-/m1/s1