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

Systemtic Name: ethyl (2R)-2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-oxidanyl-ethanoate Openeye Name: ethyl (2R)-2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-hydroxy-acetate CAS Name: (2R)-2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]-2-hydroxyacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[1-(3-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]-2-hydroxyacetate Traditional Name: (2R)-2-[1-(3-fluorophenyl)-5-(4-mesylphenyl)-2-methyl-pyrrol-3-yl]-2-hydroxy-acetic acid ethyl ester Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@H](C1=C(N(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=CC=C3)F)C)O

InChI

InChI=1S/C22H22FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13,21,25H,4H2,1-3H3/t21-/m1/s1