5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-[(hexylamino)-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=C(N=C2)C(=O)O)CCCCC

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=C(N=C2)C(=O)O)CCCCC

InChI

InChI=1S/C25H33N3O6S/c1-3-5-7-9-15-26-23(29)18-11-13-21(14-12-18)35(33,34)28-24(30)20-16-19(10-8-6-4-2)22(25(31)32)27-17-20/h11-14,16-17H,3-10,15H2,1-2H3,(H,26,29)(H,28,30)(H,31,32)