butyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: butyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: butyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid butyl ester IUPAC Name: butyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid butyl ester Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O6S/c1-2-3-19-37-28(34)25-15-12-23(20-30-25)27(33)31-38(35,36)24-13-9-22(10-14-24)17-18-29-26(32)16-11-21-7-5-4-6-8-21/h4-10,12-15,20H,2-3,11,16-19H2,1H3,(H,29,32)(H,31,33)