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

Systemtic Name: 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate Openeye Name: 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylate CAS Name: 5-[[[4-[2-[(3-methyl-1-oxobutyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylate Traditional Name: 3-amyl-5-[[4-[2-(isovalerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinate Formula: C25H32N3O6S- MolecularWeight: 502.60308

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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)CC(C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O6S/c1-4-5-6-7-19-15-20(16-27-23(19)25(31)32)24(30)28-35(33,34)21-10-8-18(9-11-21)12-13-26-22(29)14-17(2)3/h8-11,15-17H,4-7,12-14H2,1-3H3,(H,26,29)(H,28,30)(H,31,32)/p-1