3-[5-methoxy-1-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-1-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-[3-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C25H20F3NO5S MolecularWeight: 503.49021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H20F3NO5S/c1-34-20-10-11-23-22(14-20)18(7-12-24(30)31)15-29(23)35(32,33)21-4-2-3-17(13-21)16-5-8-19(9-6-16)25(26,27)28/h2-6,8-11,13-15H,7,12H2,1H3,(H,30,31)