[2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl 4-fluorobenzoate

CAS Registry Number®

478043-41-3
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CAS Name

[2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl 4-fluorobenzoate

Molecular Formula

C27H21F4NO4S

Molecular Mass

531.52

Cite this Page

[2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl 4-fluorobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=478043-41-3 (retrieved 2024-08-07) (CAS RN: 478043-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H21F4NO4S/c1-17-20(16-36-26(33)19-6-10-22(28)11-7-19)14-25(18-8-12-24(13-9-18)37(2,34)35)32(17)23-5-3-4-21(15-23)27(29,30)31/h3-15H,16H2,1-2H3

InChIKey

InChIKey=HMCUINPXSVNOOA-UHFFFAOYSA-N

SMILES

CC=1N(C(=CC1COC(=O)C2=CC=C(F)C=C2)C3=CC=C(S(C)(=O)=O)C=C3)C4=CC(C(F)(F)F)=CC=C4

Canonical SMILES

O=C(OCC=1C=C(C=2C=CC(=CC2)S(=O)(=O)C)N(C3=CC=CC(=C3)C(F)(F)F)C1C)C4=CC=C(F)C=C4

Other Names for this Substance

  • Benzoic acid, 4-fluoro-, [2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl ester
  • [2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]methyl 4-fluorobenzoate