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

Systemtic Name: ethyl (2R)-2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-pyrrol-3-yl]-2-oxidanyl-ethanoate Openeye Name: ethyl (2R)-2-hydroxy-2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-pyrrol-3-yl]acetate CAS Name: (2R)-2-hydroxy-2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-hydroxy-2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]acetate Traditional Name: (2R)-2-hydroxy-2-[5-(4-mesylphenyl)-2-methyl-1-phenyl-pyrrol-3-yl]acetic acid ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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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)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)C)O

InChI

InChI=1S/C22H23NO5S/c1-4-28-22(25)21(24)19-14-20(16-10-12-18(13-11-16)29(3,26)27)23(15(19)2)17-8-6-5-7-9-17/h5-14,21,24H,4H2,1-3H3/t21-/m1/s1