3-pentyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: 3-pentyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 3-pentyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[oxo-(phenethylamino)methyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 3-pentyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 3-amyl-5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinate Formula: C27H28N3O6S- MolecularWeight: 522.59272

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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)NCCC3=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)NCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C27H29N3O6S/c1-2-3-5-10-21-17-22(18-29-24(21)27(33)34)26(32)30-37(35,36)23-13-11-20(12-14-23)25(31)28-16-15-19-8-6-4-7-9-19/h4,6-9,11-14,17-18H,2-3,5,10,15-16H2,1H3,(H,28,31)(H,30,32)(H,33,34)/p-1