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

Systemtic Name: 3-pentyl-5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 3-pentyl-5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[oxo-[[3-[oxo-(4-phenylbutylamino)methyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 3-pentyl-5-[[3-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[3-(4-phenylbutylcarbamoyl)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=CC(=C2)C(=O)NCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCCC3=CC=CC=C3)C(=O)O

InChI

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