2-azanyl-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-oxiranyl)-4-(trifluoromethylsulfonyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(oxiran-2-yl)-4-triflyl-phenyl]propionic acid Formula: C12H12F3NO5S MolecularWeight: 339.28759

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO5S/c13-12(14,15)22(19,20)10-2-1-6(4-8(16)11(17)18)3-7(10)9-5-21-9/h1-3,8-9H,4-5,16H2,(H,17,18)