3-[5-ethoxy-1-[2-(4-propylphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethoxy-1-[2-(4-propylphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxy-1-[2-(4-propylphenyl)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-[2-(4-propylphenyl)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-[2-(4-propylphenyl)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethoxy-1-[2-(4-propylphenyl)phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C28H29NO5S MolecularWeight: 491.59856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N3C=C(C4=C3C=CC(=C4)OCC)CCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N3C=C(C4=C3C=CC(=C4)OCC)CCC(=O)O

InChI

InChI=1S/C28H29NO5S/c1-3-7-20-10-12-21(13-11-20)24-8-5-6-9-27(24)35(32,33)29-19-22(14-17-28(30)31)25-18-23(34-4-2)15-16-26(25)29/h5-6,8-13,15-16,18-19H,3-4,7,14,17H2,1-2H3,(H,30,31)