5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid CAS Name: 4-heptyl-5-[oxo-[[4-[2-(1-oxobutylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-4-heptylpyridine-2-carboxylic acid Traditional Name: 5-[[4-(2-butyramidoethyl)phenyl]sulfonylcarbamoyl]-4-heptyl-picolinic acid Formula: C26H35N3O6S MolecularWeight: 517.6376

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)CCNC(=O)CCC)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC)C(=O)O

InChI

InChI=1S/C26H35N3O6S/c1-3-5-6-7-8-10-20-17-23(26(32)33)28-18-22(20)25(31)29-36(34,35)21-13-11-19(12-14-21)15-16-27-24(30)9-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,27,30)(H,29,31)(H,32,33)