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

Systemtic Name: 3-[5-methoxy-1-(4-pyridin-3-yloxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-[4-(3-pyridyloxy)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-[4-(3-pyridinyloxy)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(4-pyridin-3-yloxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-[4-(3-pyridyloxy)phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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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)OC4=CN=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C23H20N2O6S/c1-30-18-7-10-22-21(13-18)16(4-11-23(26)27)15-25(22)32(28,29)20-8-5-17(6-9-20)31-19-3-2-12-24-14-19/h2-3,5-10,12-15H,4,11H2,1H3,(H,26,27)