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

Systemtic Name: cyclopentyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid cyclopentyl ester Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)CCNC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)OC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)CCNC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O6S/c33-27(17-12-21-6-2-1-3-7-21)30-19-18-22-10-14-25(15-11-22)39(36,37)32-28(34)23-13-16-26(31-20-23)29(35)38-24-8-4-5-9-24/h1-3,6-7,10-11,13-16,20,24H,4-5,8-9,12,17-19H2,(H,30,33)(H,32,34)