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

Systemtic Name: 3-[5-methoxy-1-(4-pyridin-4-yloxyphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-[4-(4-pyridyloxy)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-(4-pyridin-4-yloxyphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(4-pyridin-4-yloxyphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-[4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6S/c1-30-19-5-8-22-21(14-19)16(2-9-23(26)27)15-25(22)32(28,29)20-6-3-17(4-7-20)31-18-10-12-24-13-11-18/h3-8,10-15H,2,9H2,1H3,(H,26,27)