2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)pent-4-ynoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridinylmethyl)-4-pentynoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)pent-4-ynoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)pent-4-ynoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CC#C)(CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CC#C)(CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C18H17NO5S/c1-3-10-18(17(20)21,12-14-5-4-11-19-13-14)25(22,23)16-8-6-15(24-2)7-9-16/h1,4-9,11,13H,10,12H2,2H3,(H,20,21)