3-pentyl-5-[[3-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: 3-pentyl-5-[[3-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: 3-pentyl-5-[[3-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[3-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]phenyl]sulfonylamino]methyl]-3-pentyl-2-pyridinecarboxylate IUPAC Name: 3-pentyl-5-[[3-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 3-amyl-5-[[3-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinate Formula: C29H32N3O6S- MolecularWeight: 550.64588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)CCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCCC1=C(N=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC(=C2)CCNC(=O)CCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C29H33N3O6S/c1-2-3-5-12-23-19-24(20-31-27(23)29(35)36)28(34)32-39(37,38)25-13-8-11-22(18-25)16-17-30-26(33)15-14-21-9-6-4-7-10-21/h4,6-11,13,18-20H,2-3,5,12,14-17H2,1H3,(H,30,33)(H,32,34)(H,35,36)/p-1