ethyl 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanoate Openeye Name: ethyl 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hexanoate CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridinylmethyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hexanoate Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hexanoic acid ethyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-5-28-21(24)22(13-12-17(2)3,15-18-7-6-14-23-16-18)29(25,26)20-10-8-19(27-4)9-11-20/h6-11,14,16-17H,5,12-13,15H2,1-4H3