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

Systemtic Name: ethyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H27N3O6S/c1-2-35-26(32)23-14-11-21(18-28-23)25(31)29-36(33,34)22-12-8-20(9-13-22)16-17-27-24(30)15-10-19-6-4-3-5-7-19/h3-9,11-14,18H,2,10,15-17H2,1H3,(H,27,30)(H,29,31)