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

Systemtic Name: ethyl 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hex-4-enoate Openeye Name: ethyl 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hex-4-enoate CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridinylmethyl)-4-hexenoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hex-4-enoate Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hex-4-enoic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/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/h6-12,14,16H,5,13,15H2,1-4H3