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

Systemtic Name: 3-[5-methoxy-1-[4-(phenoxymethyl)phenyl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-[4-(phenoxymethyl)phenyl]sulfonyl-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-[4-(phenoxymethyl)phenyl]sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-[4-(phenoxymethyl)phenyl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-[4-(phenoxymethyl)phenyl]sulfonyl-indol-3-yl]propionic acid Formula: C25H23NO6S MolecularWeight: 465.51822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C25H23NO6S/c1-31-21-10-13-24-23(15-21)19(9-14-25(27)28)16-26(24)33(29,30)22-11-7-18(8-12-22)17-32-20-5-3-2-4-6-20/h2-8,10-13,15-16H,9,14,17H2,1H3,(H,27,28)