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

Systemtic Name: 4-heptyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 4-heptyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 4-heptyl-5-[oxo-[[4-[oxo-(2-phenoxyethylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid IUPAC Name: 4-heptyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 4-heptyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C29H33N3O7S MolecularWeight: 567.65322

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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)NCCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=NC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H33N3O7S/c1-2-3-4-5-7-10-22-19-26(29(35)36)31-20-25(22)28(34)32-40(37,38)24-15-13-21(14-16-24)27(33)30-17-18-39-23-11-8-6-9-12-23/h6,8-9,11-16,19-20H,2-5,7,10,17-18H2,1H3,(H,30,33)(H,32,34)(H,35,36)