(E)-2-(4-methylphenyl)sulfonyl-8-phenyl-8-pyridin-3-yl-oct-7-enoic acid

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-8-phenyl-8-pyridin-3-yl-oct-7-enoic acid Openeye Name: (E)-8-phenyl-2-(p-tolylsulfonyl)-8-(3-pyridyl)oct-7-enoic acid CAS Name: (E)-2-(4-methylphenyl)sulfonyl-8-phenyl-8-(3-pyridinyl)-7-octenoic acid IUPAC Name: (E)-2-(4-methylphenyl)sulfonyl-8-phenyl-8-pyridin-3-yloct-7-enoic acid Traditional Name: (E)-8-phenyl-8-(3-pyridyl)-2-tosyl-oct-7-enoic acid Formula: C26H27NO4S MolecularWeight: 449.56188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCC=C(C2=CC=CC=C2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCC/C=C(\C2=CC=CC=C2)/C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C26H27NO4S/c1-20-14-16-23(17-15-20)32(30,31)25(26(28)29)13-7-3-6-12-24(21-9-4-2-5-10-21)22-11-8-18-27-19-22/h2,4-5,8-12,14-19,25H,3,6-7,13H2,1H3,(H,28,29)/b24-12+