5-[[4-[2-(octanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-[2-(octanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[4-[2-(octanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[oxo-[[4-[2-(1-oxooctylamino)ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-[2-(octanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[[4-[2-(caprylylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C23H29N3O6S/c1-2-3-4-5-6-7-21(27)24-15-14-17-8-11-19(12-9-17)33(31,32)26-22(28)18-10-13-20(23(29)30)25-16-18/h8-13,16H,2-7,14-15H2,1H3,(H,24,27)(H,26,28)(H,29,30)