methyl 3-[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-fluorophenyl)-1-(4-mesylphenyl)pyrrol-2-yl]propionic acid methyl ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4S/c1-27-21(24)14-10-18-9-13-20(15-3-5-16(22)6-4-15)23(18)17-7-11-19(12-8-17)28(2,25)26/h3-9,11-13H,10,14H2,1-2H3