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

Systemtic Name: ethyl 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoate Openeye Name: ethyl 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pyrrolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(4-fluorophenyl)-5-(4-mesylphenyl)pyrrol-2-yl]propionic acid ethyl ester Formula: C22H22FNO4S MolecularWeight: 415.477783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO4S/c1-3-28-22(25)15-11-19-10-14-21(24(19)18-8-6-17(23)7-9-18)16-4-12-20(13-5-16)29(2,26)27/h4-10,12-14H,3,11,15H2,1-2H3