[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H20FNO5S/c1-14-12-17(15(2)24(14)19-10-6-5-9-18(19)23)20(25)13-29-22(26)16-8-4-7-11-21(16)30(3,27)28/h4-12H,13H2,1-3H3