ethyl 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)hexanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)hexanoate Openeye Name: ethyl 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)hexanoate CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridinylmethyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)hexanoate Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)hexanoic acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-4-6-13-21(20(23)27-5-2,15-17-8-7-14-22-16-17)28(24,25)19-11-9-18(26-3)10-12-19/h7-12,14,16H,4-6,13,15H2,1-3H3