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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)hexanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)hexanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridinylmethyl)hexanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)hexanoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)hexanoic acid Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S/c1-3-4-11-19(18(21)22,13-15-6-5-12-20-14-15)26(23,24)17-9-7-16(25-2)8-10-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,21,22)