2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hex-4-enoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hex-4-enoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hex-4-enoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridinylmethyl)-4-hexenoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hex-4-enoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethyl)hex-4-enoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-15(2)10-11-20(19(22)23,13-16-5-4-12-21-14-16)27(24,25)18-8-6-17(26-3)7-9-18/h4-10,12,14H,11,13H2,1-3H3,(H,22,23)