2-[(4-pyridin-4-ylcarbonylphenyl)sulfonylmethyl]pentanoic acid

Systemtic Name: 2-[(4-pyridin-4-ylcarbonylphenyl)sulfonylmethyl]pentanoic acid Openeye Name: 2-[[4-(pyridine-4-carbonyl)phenyl]sulfonylmethyl]pentanoic acid CAS Name: 2-[[4-[oxo(pyridin-4-yl)methyl]phenyl]sulfonylmethyl]pentanoic acid IUPAC Name: 2-[[4-(pyridine-4-carbonyl)phenyl]sulfonylmethyl]pentanoic acid Traditional Name: 2-[(4-isonicotinoylphenyl)sulfonylmethyl]valeric acid Formula: C18H19NO5S MolecularWeight: 361.41216

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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

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

InChI

InChI=1S/C18H19NO5S/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/h4-11,15H,2-3,12H2,1H3,(H,21,22)