2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(trifluoromethylsulfonyloxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(trifluoromethylsulfonyloxy)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(trifluoromethylsulfonyloxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(trifluoromethylsulfonyloxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-methyl-5-triflyloxy-phenyl)acetic acid Formula: C17H13F3N2O5S MolecularWeight: 414.35573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)C(C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)C(C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13F3N2O5S/c1-10-6-12(8-14(7-10)27-28(25,26)17(18,19)20)15(16(23)24)22-13-4-2-11(9-21)3-5-13/h2-8,15,22H,1H3,(H,23,24)