3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-fluorophenyl)-5-(4-mesylphenyl)pyrrol-2-yl]propionic acid Formula: C20H18FNO4S MolecularWeight: 387.424623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)F)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)F)CCC(=O)O

InChI

InChI=1S/C20H18FNO4S/c1-27(25,26)18-10-2-14(3-11-18)19-12-8-17(9-13-20(23)24)22(19)16-6-4-15(21)5-7-16/h2-8,10-12H,9,13H2,1H3,(H,23,24)