3-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]methylsulfinyl]phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]methylsulfinyl]phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]methylsulfinyl]phenyl]methylamino]propanoic acid CAS Name: 3-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]methylsulfinyl]phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-[[4-phenyl-3-(trifluoromethyl)phenyl]methylsulfinyl]phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-[4-phenyl-3-(trifluoromethyl)benzyl]sulfinylbenzyl]amino]propionic acid Formula: C24H22F3NO3S MolecularWeight: 461.49659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CS(=O)C3=CC=C(C=C3)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CS(=O)C3=CC=C(C=C3)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C24H22F3NO3S/c25-24(26,27)22-14-18(8-11-21(22)19-4-2-1-3-5-19)16-32(31)20-9-6-17(7-10-20)15-28-13-12-23(29)30/h1-11,14,28H,12-13,15-16H2,(H,29,30)