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

Systemtic Name: 5-[[4-[2-(heptanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 5-[[4-[2-(heptanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-(1-oxoheptylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylate IUPAC Name: 5-[[4-[2-(heptanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(enanthylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinate Formula: C22H26N3O6S- MolecularWeight: 460.52334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-2-3-4-5-6-20(26)23-14-13-16-7-10-18(11-8-16)32(30,31)25-21(27)17-9-12-19(22(28)29)24-15-17/h7-12,15H,2-6,13-14H2,1H3,(H,23,26)(H,25,27)(H,28,29)/p-1