5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate

Systemtic Name: 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate Openeye Name: 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-(1-oxopentylamino)ethyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylate Traditional Name: 3-amyl-5-[[4-[2-(valerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinate Formula: C25H32N3O6S- MolecularWeight: 502.60308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCCC)C(=O)[O-]

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCCC)C(=O)[O-]

InChI

InChI=1S/C25H33N3O6S/c1-3-5-7-8-19-16-20(17-27-23(19)25(31)32)24(30)28-35(33,34)21-12-10-18(11-13-21)14-15-26-22(29)9-6-4-2/h10-13,16-17H,3-9,14-15H2,1-2H3,(H,26,29)(H,28,30)(H,31,32)/p-1