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

Systemtic Name: 5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-[2-[(2-ethyl-1-oxobutyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C26H35N3O6S MolecularWeight: 517.6376

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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)C(CC)CC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O6S/c1-4-7-8-9-20-16-21(17-28-23(20)26(32)33)25(31)29-36(34,35)22-12-10-18(11-13-22)14-15-27-24(30)19(5-2)6-3/h10-13,16-17,19H,4-9,14-15H2,1-3H3,(H,27,30)(H,29,31)(H,32,33)