2-(4-methylphenyl)sulfonyl-8-pyridin-3-yl-octanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-8-pyridin-3-yl-octanoic acid Openeye Name: 2-(p-tolylsulfonyl)-8-(3-pyridyl)octanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-8-(3-pyridinyl)octanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-8-pyridin-3-yloctanoic acid Traditional Name: 8-(3-pyridyl)-2-tosyl-caprylic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CN=CC=C2)C(=O)O

InChI

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