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

Systemtic Name: 5-[[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 5-[[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-(1-oxohexylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylate IUPAC Name: 5-[[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(caproylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinate Formula: C21H24N3O6S- MolecularWeight: 446.49676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-2-3-4-5-19(25)22-13-12-15-6-9-17(10-7-15)31(29,30)24-20(26)16-8-11-18(21(27)28)23-14-16/h6-11,14H,2-5,12-13H2,1H3,(H,22,25)(H,24,26)(H,27,28)/p-1