2-(4-methoxyphenyl)sulfonyl-6-phenoxy-2-(pyridin-3-ylmethyl)hexanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-6-phenoxy-2-(pyridin-3-ylmethyl)hexanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-6-phenoxy-2-(3-pyridylmethyl)hexanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-6-phenoxy-2-(3-pyridinylmethyl)hexanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-6-phenoxy-2-(pyridin-3-ylmethyl)hexanoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-6-phenoxy-2-(3-pyridylmethyl)hexanoic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CCCCOC2=CC=CC=C2)(CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CCCCOC2=CC=CC=C2)(CC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C25H27NO6S/c1-31-21-11-13-23(14-12-21)33(29,30)25(24(27)28,18-20-8-7-16-26-19-20)15-5-6-17-32-22-9-3-2-4-10-22/h2-4,7-14,16,19H,5-6,15,17-18H2,1H3,(H,27,28)