5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid

Systemtic Name: 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid Openeye Name: 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-pyridine-2-carboxylic acid CAS Name: 5-[[[4-[butylamino(oxo)methyl]phenyl]sulfonylamino]-oxomethyl]-4-heptyl-2-pyridinecarboxylic acid IUPAC Name: 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptylpyridine-2-carboxylic acid Traditional Name: 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]-4-heptyl-picolinic acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC)C(=O)O

InChI

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