[(2R)-2-phenyl-2-[[4-(trifluoromethyl)phenyl]amino]but-3-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-phenyl-2-[[4-(trifluoromethyl)phenyl]amino]but-3-ynyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-phenyl-2-[4-(trifluoromethyl)anilino]but-3-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-phenyl-2-[4-(trifluoromethyl)anilino]but-3-ynyl] ester IUPAC Name: [(2R)-2-phenyl-2-[4-(trifluoromethyl)anilino]but-3-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-phenyl-2-[4-(trifluoromethyl)anilino]but-3-ynyl] ester Formula: C24H20F3NO3S MolecularWeight: 459.48071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C#C)(C2=CC=CC=C2)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@](C#C)(C2=CC=CC=C2)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C24H20F3NO3S/c1-3-23(19-7-5-4-6-8-19,28-21-13-11-20(12-14-21)24(25,26)27)17-31-32(29,30)22-15-9-18(2)10-16-22/h1,4-16,28H,17H2,2H3/t23-/m0/s1