2-pyrrol-1-yl-4-[4-(trifluoromethylsulfonyl)phenyl]butanoic acid

Systemtic Name: 2-pyrrol-1-yl-4-[4-(trifluoromethylsulfonyl)phenyl]butanoic acid Openeye Name: 2-pyrrol-1-yl-4-[4-(trifluoromethylsulfonyl)phenyl]butanoic acid CAS Name: 2-(1-pyrrolyl)-4-[4-(trifluoromethylsulfonyl)phenyl]butanoic acid IUPAC Name: 2-pyrrol-1-yl-4-[4-(trifluoromethylsulfonyl)phenyl]butanoic acid Traditional Name: 2-pyrrol-1-yl-4-(4-triflylphenyl)butyric acid Formula: C15H14F3NO4S MolecularWeight: 361.33617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C(CCC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C(CCC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H14F3NO4S/c16-15(17,18)24(22,23)12-6-3-11(4-7-12)5-8-13(14(20)21)19-9-1-2-10-19/h1-4,6-7,9-10,13H,5,8H2,(H,20,21)