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

Systemtic Name: 5-[[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[3-[2-[(2-methyl-1-oxopropyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[3-[2-(isobutyrylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-4-5-6-9-18-14-19(15-26-21(18)24(30)31)23(29)27-34(32,33)20-10-7-8-17(13-20)11-12-25-22(28)16(2)3/h7-8,10,13-16H,4-6,9,11-12H2,1-3H3,(H,25,28)(H,27,29)(H,30,31)