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

Systemtic Name: 2-methyl-2-octylsulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: 2-methyl-2-octylsulfonyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoic acid CAS Name: 2-methyl-2-octylsulfonyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-methyl-2-octylsulfonyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: 2-methyl-2-octylsulfonyl-3-[4-(2-piperidinoethoxy)phenyl]propionic acid Formula: C25H41NO5S MolecularWeight: 467.66174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C(C)(CC1=CC=C(C=C1)OCCN2CCCCC2)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C(C)(CC1=CC=C(C=C1)OCCN2CCCCC2)C(=O)O

InChI

InChI=1S/C25H41NO5S/c1-3-4-5-6-7-11-20-32(29,30)25(2,24(27)28)21-22-12-14-23(15-13-22)31-19-18-26-16-9-8-10-17-26/h12-15H,3-11,16-21H2,1-2H3,(H,27,28)