3-methoxy-5-methyl-2-(phenylsulfonyl)-2-(pyridin-3-ylmethyl)hexanoic acid

Systemtic Name: 3-methoxy-5-methyl-2-(phenylsulfonyl)-2-(pyridin-3-ylmethyl)hexanoic acid Openeye Name: 2-(benzenesulfonyl)-3-methoxy-5-methyl-2-(3-pyridylmethyl)hexanoic acid CAS Name: 2-(benzenesulfonyl)-3-methoxy-5-methyl-2-(3-pyridinylmethyl)hexanoic acid IUPAC Name: 2-(benzenesulfonyl)-3-methoxy-5-methyl-2-(pyridin-3-ylmethyl)hexanoic acid Traditional Name: 2-besyl-3-methoxy-5-methyl-2-(3-pyridylmethyl)hexanoic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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