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

Systemtic Name: 3-[5-methoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C19H16F3NO5S MolecularWeight: 427.39425

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3NO5S/c1-28-14-6-7-17-16(10-14)12(5-8-18(24)25)11-23(17)29(26,27)15-4-2-3-13(9-15)19(20,21)22/h2-4,6-7,9-11H,5,8H2,1H3,(H,24,25)