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

Systemtic Name: methyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C25H25N3O6S/c1-34-25(31)22-13-10-20(17-27-22)24(30)28-35(32,33)21-11-7-19(8-12-21)15-16-26-23(29)14-9-18-5-3-2-4-6-18/h2-8,10-13,17H,9,14-16H2,1H3,(H,26,29)(H,28,30)