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

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-2-(pyridin-3-ylmethyl)dec-4-ynoic acid Openeye Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyridylmethyl)dec-4-ynoic acid CAS Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyridinylmethyl)-4-decynoic acid IUPAC Name: 2-(4-fluorophenyl)sulfonyl-2-(pyridin-3-ylmethyl)dec-4-ynoic acid Traditional Name: 2-(4-fluorophenyl)sulfonyl-2-(3-pyridylmethyl)dec-4-ynoic acid Formula: C22H24FNO4S MolecularWeight: 417.493663

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO4S/c1-2-3-4-5-6-7-14-22(21(25)26,16-18-9-8-15-24-17-18)29(27,28)20-12-10-19(23)11-13-20/h8-13,15,17H,2-5,14,16H2,1H3,(H,25,26)