[2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[1-(3-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=C2)F)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

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