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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H18FNO4S/c1-12(20(23)24)18-11-17(13-3-7-15(21)8-4-13)19(22-18)14-5-9-16(10-6-14)27(2,25)26/h3-12,22H,1-2H3,(H,23,24)