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

Systemtic Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl butanoate Openeye Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl butanoate CAS Name: butanoic acid 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]ethyl ester IUPAC Name: 2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl butanoate Traditional Name: butyric acid 2-[1-(4-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-pyrrol-3-yl]ethyl ester Formula: C24H26FNO4S MolecularWeight: 443.530943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCC(=O)OCCC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C24H26FNO4S/c1-4-5-24(27)30-15-14-19-16-23(18-6-12-22(13-7-18)31(3,28)29)26(17(19)2)21-10-8-20(25)9-11-21/h6-13,16H,4-5,14-15H2,1-3H3