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

Systemtic Name: 3-pentyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 3-pentyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[oxo-[[4-[oxo-(2-phenoxyethylamino)methyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylic acid IUPAC Name: 3-pentyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 3-amyl-5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H29N3O7S/c1-2-3-5-8-20-17-21(18-29-24(20)27(33)34)26(32)30-38(35,36)23-13-11-19(12-14-23)25(31)28-15-16-37-22-9-6-4-7-10-22/h4,6-7,9-14,17-18H,2-3,5,8,15-16H2,1H3,(H,28,31)(H,30,32)(H,33,34)