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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)dec-4-ynoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)dec-4-ynoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridinylmethyl)-4-decynoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)dec-4-ynoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethyl)dec-4-ynoic acid Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S/c1-3-4-5-6-7-8-15-23(22(25)26,17-19-10-9-16-24-18-19)30(27,28)21-13-11-20(29-2)12-14-21/h9-14,16,18H,3-6,15,17H2,1-2H3,(H,25,26)