2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hexanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridinylmethyl)hexanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hexanoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC1=CN=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCC(CC1=CN=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H25NO5S/c1-15(2)10-11-20(19(22)23,13-16-5-4-12-21-14-16)27(24,25)18-8-6-17(26-3)7-9-18/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,22,23)