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

Systemtic Name: 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[2-[(3-methyl-1-oxobutyl)amino]ethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylate IUPAC Name: 5-[[4-[2-(3-methylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(isovalerylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinate Formula: C20H22N3O6S- MolecularWeight: 432.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-13(2)11-18(24)21-10-9-14-3-6-16(7-4-14)30(28,29)23-19(25)15-5-8-17(20(26)27)22-12-15/h3-8,12-13H,9-11H2,1-2H3,(H,21,24)(H,23,25)(H,26,27)/p-1