(2E)-2-[(4-pyridin-4-ylcarbonylphenyl)sulfonylmethylidene]pentanoic acid

Systemtic Name: (2E)-2-[(4-pyridin-4-ylcarbonylphenyl)sulfonylmethylidene]pentanoic acid Openeye Name: (2E)-2-[[4-(pyridine-4-carbonyl)phenyl]sulfonylmethylene]pentanoic acid CAS Name: (2E)-2-[[4-[oxo(pyridin-4-yl)methyl]phenyl]sulfonylmethylidene]pentanoic acid IUPAC Name: (2E)-2-[[4-(pyridine-4-carbonyl)phenyl]sulfonylmethylidene]pentanoic acid Traditional Name: (E)-3-(4-isonicotinoylphenyl)sulfonyl-2-propyl-acrylic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

CCC/C(=C\S(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=NC=C2)/C(=O)O

InChI

InChI=1S/C18H17NO5S/c1-2-3-15(18(21)22)12-25(23,24)16-6-4-13(5-7-16)17(20)14-8-10-19-11-9-14/h4-12H,2-3H2,1H3,(H,21,22)/b15-12+