5-[[3-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[[3-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[3-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[3-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[3-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[3-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C27H28FN3O6S MolecularWeight: 541.591123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C27H28FN3O6S/c1-2-3-4-6-19-15-21(17-30-24(19)27(34)35)26(33)31-38(36,37)23-8-5-7-20(16-23)25(32)29-14-13-18-9-11-22(28)12-10-18/h5,7-12,15-17H,2-4,6,13-14H2,1H3,(H,29,32)(H,31,33)(H,34,35)