2-(4-methylphenyl)sulfonyl-8-pyridin-2-yl-octanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-8-pyridin-2-yl-octanoic acid Openeye Name: 2-(p-tolylsulfonyl)-8-(2-pyridyl)octanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-8-(2-pyridinyl)octanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-8-pyridin-2-yloctanoic acid Traditional Name: 8-(2-pyridyl)-2-tosyl-caprylic acid Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-16-11-13-18(14-12-16)26(24,25)19(20(22)23)10-5-3-2-4-8-17-9-6-7-15-21-17/h6-7,9,11-15,19H,2-5,8,10H2,1H3,(H,22,23)