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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCOC(=O)CC1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3