2-[(4-cyanophenyl)amino]-2-[3-ethyl-4-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-4-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethyl-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethyl-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-ethyl-4-triflyloxy-phenyl)acetic acid Formula: C18H15F3N2O5S MolecularWeight: 428.38231

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O5S/c1-2-12-9-13(5-8-15(12)28-29(26,27)18(19,20)21)16(17(24)25)23-14-6-3-11(10-22)4-7-14/h3-9,16,23H,2H2,1H3,(H,24,25)