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

Systemtic Name: 4-heptyl-5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 4-heptyl-5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 4-heptyl-5-[[[4-[(hexylamino)-oxomethyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 4-heptyl-5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 4-heptyl-5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C27H37N3O6S MolecularWeight: 531.66418

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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)NCCCCCC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O6S/c1-3-5-7-9-10-12-21-18-24(27(33)34)29-19-23(21)26(32)30-37(35,36)22-15-13-20(14-16-22)25(31)28-17-11-8-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3,(H,28,31)(H,30,32)(H,33,34)