3-methoxy-5-methyl-2-(phenylsulfonyl)-2-(pyridin-3-ylmethyl)hex-4-enoic acid

Systemtic Name: 3-methoxy-5-methyl-2-(phenylsulfonyl)-2-(pyridin-3-ylmethyl)hex-4-enoic acid Openeye Name: 2-(benzenesulfonyl)-3-methoxy-5-methyl-2-(3-pyridylmethyl)hex-4-enoic acid CAS Name: 2-(benzenesulfonyl)-3-methoxy-5-methyl-2-(3-pyridinylmethyl)-4-hexenoic acid IUPAC Name: 2-(benzenesulfonyl)-3-methoxy-5-methyl-2-(pyridin-3-ylmethyl)hex-4-enoic acid Traditional Name: 2-besyl-3-methoxy-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(=CC(C(CC1=CN=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2)OC)C

Isomeric SMILES

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

InChI

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