(2-methoxyphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-methoxyphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-methoxyphenyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-methoxyphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO5S/c1-26-19-7-3-4-8-20(19)27-21(23)14-11-17-9-12-18(13-10-17)28(24,25)22-15-5-2-6-16-22/h3-4,7-10,12-13H,2,5-6,11,14-16H2,1H3