2-methyl-2-(4-methylphenyl)sulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid

Systemtic Name: 2-methyl-2-(4-methylphenyl)sulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: 2-methyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]-2-(p-tolylsulfonyl)propanoic acid CAS Name: 2-methyl-2-(4-methylphenyl)sulfonyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-methyl-2-(4-methylphenyl)sulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: 2-methyl-3-[4-(2-piperidinoethoxy)phenyl]-2-tosyl-propionic acid Formula: C24H31NO5S MolecularWeight: 445.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

InChI

InChI=1S/C24H31NO5S/c1-19-6-12-22(13-7-19)31(28,29)24(2,23(26)27)18-20-8-10-21(11-9-20)30-17-16-25-14-4-3-5-15-25/h6-13H,3-5,14-18H2,1-2H3,(H,26,27)