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

Systemtic Name: 5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-4-heptyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-4-heptylpyridine-2-carboxylic acid Traditional Name: 5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-4-heptyl-picolinic acid Formula: C29H32FN3O6S MolecularWeight: 569.644283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C29H32FN3O6S/c1-2-3-4-5-6-7-22-18-26(29(36)37)32-19-25(22)28(35)33-40(38,39)24-14-10-21(11-15-24)27(34)31-17-16-20-8-12-23(30)13-9-20/h8-15,18-19H,2-7,16-17H2,1H3,(H,31,34)(H,33,35)(H,36,37)