3-pentyl-5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 3-pentyl-5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 3-pentyl-5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[oxo-[[4-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 3-pentyl-5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H33N3O6S/c1-2-3-5-10-23-19-24(20-31-27(23)29(35)36)28(34)32-39(37,38)25-14-11-22(12-15-25)17-18-30-26(33)16-13-21-8-6-4-7-9-21/h4,6-9,11-12,14-15,19-20H,2-3,5,10,13,16-18H2,1H3,(H,30,33)(H,32,34)(H,35,36)