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

Systemtic Name: 8-(4-ethylpyridin-2-yl)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(4-ethyl-2-pyridyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(4-ethyl-2-pyridinyl)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(4-ethylpyridin-2-yl)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(4-ethyl-2-pyridyl)-2-tosyl-caprylic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC=C1)CCCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=CC(=NC=C1)CCCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29NO4S/c1-3-18-14-15-23-19(16-18)8-6-4-5-7-9-21(22(24)25)28(26,27)20-12-10-17(2)11-13-20/h10-16,21H,3-9H2,1-2H3,(H,24,25)