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

Systemtic Name: 3-[5-methoxy-1-[4-(pyridin-3-ylmethoxy)phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-[4-(3-pyridylmethoxy)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-[4-(3-pyridinylmethoxy)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-[4-(3-pyridylmethoxy)phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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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=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H22N2O6S/c1-31-20-7-10-23-22(13-20)18(4-11-24(27)28)15-26(23)33(29,30)21-8-5-19(6-9-21)32-16-17-3-2-12-25-14-17/h2-3,5-10,12-15H,4,11,16H2,1H3,(H,27,28)